├── Code ├── py2 │ ├── 1.pdf │ └── 2.pdf ├── Output.txt ├── Readme.md └── AI_summarization_for_organic_electroactive_molecules.py ├── Images ├── Type01.png ├── Type02.png ├── Type03.png ├── Type04.png ├── Type05.png ├── Type06.png ├── Type07.png ├── Type08.png ├── Type09.png ├── Type10.png ├── Type11.png ├── Type12.png ├── Type13.png ├── Type14.png ├── Type15.png ├── Type16.png ├── Type17.png ├── Type18.png ├── Type19.png └── Type20.png ├── Data ├── Redox_active_center_type_12.md ├── Redox_active_center_type_07.md ├── Redox_active_center_type_14.md ├── Redox_active_center_type_16.md ├── Redox_active_center_type_05.md ├── Redox_active_center_type_18.md ├── Redox_active_center_type_15.md ├── Redox_active_center_type_09.md ├── Redox_active_center_type_04.md ├── Redox_active_center_type_11.md ├── Redox_active_center_type_01.md ├── Redox_active_center_type_02.md ├── Redox_active_center_type_03.md ├── Redox_active_center_type_08.md ├── Redox_active_center_type_13.md ├── Redox_active_center_type_06.md ├── Redox_active_center_type_10.md ├── Redox_active_center_type_20.md ├── Redox_active_center_type_17.md └── Redox_active_center_type_19.md ├── LICENSE └── Readme.md /Code/py2/1.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Peng-Gaoresearchgroup/External_Li_supply/HEAD/Code/py2/1.pdf -------------------------------------------------------------------------------- /Code/py2/2.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Peng-Gaoresearchgroup/External_Li_supply/HEAD/Code/py2/2.pdf -------------------------------------------------------------------------------- /Images/Type01.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Peng-Gaoresearchgroup/External_Li_supply/HEAD/Images/Type01.png 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'Type 12 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing lithium selenite (1), lithium vinylselenite (2), lithium 2-amino-selenite (3), and lithium 2-oxy-selenite (4). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion and a radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_07.md: -------------------------------------------------------------------------------- 1 | # Type 7 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type07.png 'Type 7 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing lithium alcohol (1), lithium allylalcohol (2), lithium propargylalcohol (3), lithium 3-oxo-alcohol (4), and lithium 3-oxy-3-oxo-alcohol (5). They are grouped into the same category because these functional groups undergo the same reaction route to release two free Li ion and a oxygen radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_14.md: -------------------------------------------------------------------------------- 1 | # Type 14 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type14.png 'Type 14 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing lithium pentafluorophosphate (1), lithium 2-oxy-pentafluorophosphate (2), lithium vinylpentafluorophosphate (3), and lithium 2-amino-pentafluorophosphate (4). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion and a radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_16.md: -------------------------------------------------------------------------------- 1 | # Type 16 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type16.png 'Type 16 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing lithium phosphonofluoridate (1), lithium 2-amino-phosphonofluoridate (2), lithium vinylphosphonofluoridate (3), and lithium 2-oxy-phosphonofluoridate (4). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion and a radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_05.md: -------------------------------------------------------------------------------- 1 | # Type 5 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type05.png 'Type 5 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing dilithium dihydroxylammonium (1), dilithium vinylenedihydroxyammonium (2), dilithium 3-oxo-dihydroxylammonium (3), dilithium 3-oxy-3-oxo-dihydroxylammonium (4), and dilithium allyldihydroxyammonium (5). They are grouped into the same category because these functional groups undergo the same reaction route to release two free Li ion and a nitrogen oxide radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_18.md: -------------------------------------------------------------------------------- 1 | # Type 18 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type18.png 'Type 18 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing dilithium 2-hydroquinone (1), dilithium 2,4-hydroquinone (2), dilithium 2,6-hydroquinone (3), dilithium 2,5-hydroquinone (4), dilithium 2,3,6-hydroquinone (5), and dilithium 2,3,5,6-hydroquinone (6). They are grouped into the same category because these functional groups undergo the same reaction route to release two free Li ion and two oxygen radical. 5 | -------------------------------------------------------------------------------- /Data/Redox_active_center_type_15.md: -------------------------------------------------------------------------------- 1 | # Type 15 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type15.png 'Type 15 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing lithium trifluoroborate (1), lithium allyltrifluoroborate (2), lithium propargyltrifluoroborate (3), lithium 2-oxy-trifluoroborate (4), lithium 2-thio-trifluoroborate (5), and lithium 2-amino-trifluoroborate (6). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion , a BF3 gas molecule and a radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_09.md: -------------------------------------------------------------------------------- 1 | # Type 9 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type09.png 'Type 9 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing lithium oxalate (1), lithium allyloxalate (2), lithium ethynyloxalate (3), lithium propargyloxalate (4), lithium 2-oxy-oxalate (5), lithium 4-oxo-2-oxyoxalate (6), lithium oxalate ammonia (7), and lithium vinyloxalate (8). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion, two CO2 gas molecules and a radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_04.md: -------------------------------------------------------------------------------- 1 | # Type 4 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type04.png 'Type 4 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing lithium amide (1), lithium acidamide (2), lithium acidimide (3), lithium sulfonamide (4), lithium sulfonimide (5), lithium acyl-sulfonimide (6), lithium sulfamate (7), lithium sulfimate (8), lithium thioamide (9), and lithium acyl-thioimide (10). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion and a nitrogen radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_11.md: -------------------------------------------------------------------------------- 1 | # Type 11 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type11.png 'Type 11 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing trilithium silanetriol (1), trilithium vinylsilanetriol (2), trilithium allylsilanetriol (3), trilithium 2-oxy-silanetriol (4), trilithium 2-amino-silanetriol (5), trilithium 2-thio-silanetriol (6), trilithium 2-oxy-4-oxo-silanetriol (7), and trilithium acylsilanetriol (8). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion and a radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_01.md: -------------------------------------------------------------------------------- 1 | # Type 1 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type01.png 'Type 1 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing lithium thiolate (1), lithium 2-oxy-thiolate (2), lithium 2-thio-thiolate (3), lithium 2-amino-thiolate (4), lithium allylthiolate (5), lithium propargylthiolate (6), lithium 3-oxo-thiolate (7), lithium 3-thioxo-thiolate (8), 3-oxy-3-oxo-thiolate (9), and lithium 3-amino-3-oxo-thiolate (10). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion and a sulfur radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_02.md: -------------------------------------------------------------------------------- 1 | # Type 2 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type02.png 'Type 2 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing lithium sulfinate (1), lithium vinylsulfinate (2), lithium allylsulfinate (3), lithium ethynylsulfinate (4), lithium 3-oxo-sulfinate (5), lithium 2-oxy-sulfinate (6), lithium 2-amino-sulfinate (7), lithium 2-thio-sulfinate (8), lithium sulfite (9), and lithium propargylsulfinate (10). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion, a SO2 gas molecule and a radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_03.md: -------------------------------------------------------------------------------- 1 | # Type 3 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type03.png 'Type 3 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing lithium sulfonate (1), lithium vinylsulfonate (2), lithium allylsulfonate (3), lithium ethynylsulfonate (4), lithium 3-oxo-sulfonate (5), lithium 2-oxy-sulfonate (6), lithium 2-amino-sulfonate (7), lithium 2-thio-sulfonate (8), lithium sulfate (9), and lithium propargylsulfonate (10). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion, a SO3 gas molecule and a radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_08.md: -------------------------------------------------------------------------------- 1 | # Type 8 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type08.png 'Type 8 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing lithium carboxylate (1), lithium 2-oxoacetate (2), lithium 2-thioxoacetate (3), lithium 2-oxy-acetate (4), lithium 2thio-acetate (5), lithium 3-oxopropionate (6), lithium 3-amino-3-oxopropionate (7), lithium oxamate (8), lithium aminoacetate (9), lithium acrylate (10), and lithium propiolate (11). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion, a CO2 gas molecule and a radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_13.md: -------------------------------------------------------------------------------- 1 | # Type 13 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type13.png 'Type 13 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing dilithium boronate (1), dilithium vinylboronate (2), dilithium allylboronate (3), dilithium ethynylboronate (4), dilithium 2-amino-boronate (5), dilithium 2-oxy-boronate (6), dilithium 2-thio-boronate (7), dilithium 3-oxo-boronate (8), dilithium 3-oxy-3-oxo-boronate (9), and dilithium 3-amino-3-oxo-boronate (10). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion and a radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_06.md: -------------------------------------------------------------------------------- 1 | # Type 6 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type06.png 'Type 6 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing dilithium hydrazine (1), dilithium diacylhydrazine (2), dilithium acylhydrazine (3), dilithium diathiohydrazine (4), dilithium thiohydrazine (5), dilithium iminomethylhydrazine (6), dilithium oxy-acyl-iminomethylhydrazine (7), dilithium oxy-acyl-acylhydrazine (8), and dilithium oxy-acyl-thiohydrazine (9). They are grouped into the same category because these functional groups undergo the same reaction route to release two free Li ion and a nitrogen nitrogen radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_10.md: -------------------------------------------------------------------------------- 1 | # Type 10 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type10.png 'Type 10 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing dilithium phosphonicacid (1), dilithium 2-amino-phosphonicacid (2), dilithium 2-oxy-phosphonicacid (3), dilithium acyl phosphonicacid (4), dilithium 2-oxy-acyl-phosphonicacid (5), dilithium 3-oxo-phosphonicacid (6), dilithium 3-oxy-3-oxo-phosphonicacid (7), dilithium vinylphosphonicacid (8), and dilithium allylphosphonicacid (9). They are grouped into the same category because these functional groups undergo the same reaction route to release a free Li ion and a radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_20.md: -------------------------------------------------------------------------------- 1 | # Type 20 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type20.png 'Type 20 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing dilithium hydroxylamine (1), dilithium vinylhydroxylamine (2), dilithium allylhydroxylamine (3), dilithium 2-oxy-hydroxylamine (4), dilithium acylhydroxylamine (5), dilithium 2-oxy-acylhydroxylamine (6), dilithium 3-oxo-acylhydroxylamine (7), dilithium amidinohydroxylamide (8), and dilithium aminoacylhydroxylamine (9). They are grouped into the same category because these functional groups undergo the same reaction route to release two free Li ion and a nitrogen oxygen radical. -------------------------------------------------------------------------------- /Data/Redox_active_center_type_17.md: -------------------------------------------------------------------------------- 1 | # Type 17 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type17.png 'Type 17 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing dilithium 4-monocatecholate (1), dilithium 3-monocatecholate (2), dilithium 3,4-monocatecholate (3), dilithium 4,5-monocatecholate (4), dilithium 3,6-monocatecholate (5), dilithium 3,5-monocatecholate (6), dilithium 3,4,5-monocatecholate (7), dilithium 3,5,6-monocatecholate (8) and dilithium 3,4,5,6-monocatecholate (9). They are grouped into the same category because these functional groups undergo the same reaction route to release two free Li ion and two oxygen radical. 5 | -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- 1 | MIT License 2 | 3 | Copyright (c) 2024 YueGao 4 | 5 | Permission is hereby granted, free of charge, to any person obtaining a copy 6 | of this software and associated documentation files (the "Software"), to deal 7 | in the Software without restriction, including without limitation the rights 8 | to use, copy, modify, merge, publish, distribute, sublicense, and/or sell 9 | copies of the Software, and to permit persons to whom the Software is 10 | furnished to do so, subject to the following conditions: 11 | 12 | The above copyright notice and this permission notice shall be included in all 13 | copies or substantial portions of the Software. 14 | 15 | THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR 16 | IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, 17 | FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE 18 | AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER 19 | LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, 20 | OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE 21 | SOFTWARE. 22 | -------------------------------------------------------------------------------- /Data/Redox_active_center_type_19.md: -------------------------------------------------------------------------------- 1 | # Type 19 of redox-active center containing a series of electrochemically active molecules 2 | ![My Local Image](../Images/Type19.png 'Type 19 of redox-active center containing a series of electrochemically active') 3 | 4 | A redox-active center type containing dilithium 5-naphthalene-2,3-diolate (1), dilithium 5,6-naphthalene-2,3-diolate (2), dilithium 4,5-naphthalene-2,3-diolate (3), dilithium 4,5,6-naphthalene-2,3-diolate (4), dilithium 4,5,6,7-naphthalene-2,3-diolate (5), dilithium 3,4,5,6,7-naphthalene-2,3-diolate (6), dilithium 3,4,5,6,7,8-naphthalene-2,3-diolate (7), dilithium 3,8-naphthalene-2,3-diolate (8), dilithium 3-naphthalene-2,3-diolate (9), dilithium 3,5,6,8-naphthalene-2,3-diolate (10), dilithium 3,5,7,8-naphthalene-2,3-diolate (11), dilithium 5,6,8-naphthalene-2,3-diolate (12), dilithium 3,4,5,8-naphthalene-2,3-diolate (13), dilithium 3,5-naphthalene-2,3-diolate (14), dilithium 3,4,5,6-naphthalene-2,3-diolate (15), and dilithium 3,4,5,6,8-hydroquinone (16). They are grouped into the same category because these functional groups undergo the same reaction route to release two free Li ion and two oxygen radical. -------------------------------------------------------------------------------- /Code/Output.txt: -------------------------------------------------------------------------------- 1 | 1.pdf 2 | ----Here is the extracted reaction information from the provided document following your requested format: 3 | (1) [Cyclohexene][N/A] reacts under [linear paired electrolysis] conditions, yielding [dibromocyclohexane][N/A]. 4 | (2) [Cyclohexene][N/A] reacts under [linear paired electrolysis] conditions, yielding [diiodocyclohexane][N/A]. 5 | (3) [b-citronellene][N/A] reacts under [linear paired electrolysis] conditions, yielding [dibrominated b-citronellene][N/A]. 6 | (4) [1,3-Dimethoxybenzene][N/A] reacts under [linear paired electrolysis] conditions, yielding [brominated dimethoxybenzene][N/A]. 7 | Please let me know if you need further adjustments. 8 | 9 | 2.pdf 10 | ----(1) [Catechol][120-80-9] under [aqueous sodium acetate solution, 0.15 M, 26°C] conditions reacts to form [o-benzoquinone][583-63-1] 11 | (2) [3-methylcatechol][488-17-5] under [aqueous sodium acetate solution, 0.15 M, 26°C] conditions reacts to form [3-methyl-o-quinone][583-63-1] 12 | (3) [3-methoxycatechol][487-69-6] under [aqueous sodium acetate solution, 0.15 M, 26°C] conditions reacts to form [3-methoxy-o-benzoquinone][] 13 | (4) [2,3-dihydroxybenzoic acid][303-38-8] under [aqueous sodium acetate solution, 0.15 M, 26°C] conditions reacts to form [o-quinone-3-carboxylic acid][303-38-8] 14 | 15 | -------------------------------------------------------------------------------- /Readme.md: -------------------------------------------------------------------------------- 1 | # External Li Supply 2 | ### Introduction 3 | Scripts from the manuscript S. Chen, et al. External Li supply reshapes Li deficiency and lifetime limit of batteries.(https://doi.org/10.1038/s41586-024-08465-y) 4 | 5 | ### Contents 6 | - Code folder to reproduce the data, including a source code and a PDF file for presentation. 7 | - Data floder includes directory of the references and patents and summerization for 20 types of redox-active centers. 8 | - Images floder includes the source image file for Data folder. 9 | 10 | ### System Requirements 11 | In order to run source code file in the Data folder, the following requirements need to be met: 12 | - Windows, Mac , Linux 13 | - Python (version 3.7.4 or newer) 14 | - Necessary python modules (see [Readme.md](.\Code\Readme.md) in the Code folder) 15 | 16 | ### Installation guide 17 | You can download the package in zip format directly from this github site, with an estimated download time of less than 1 minute (regular office internet speed). 18 | 19 | ### Demo 20 | Please see [Readme.md](.\Code\Readme.md) in the Code folder for this section. 21 | 22 | ### Instructions for Use 23 | Please see [Readme.md](.\Code\Readme.md) in the Code folder for this section. 24 | 25 | ### Contributions 26 | Y.G., G.W., S.C., W.W. and T.C. developed a workflow utilizing AI to investigate electrochemically active molecules in the references and patents, wrote the program and contributed to code debugging. 27 | 28 | ### License 29 | This project uses the [MIT LICENSE](LICENSE). 30 | 31 | ### Disclaimer 32 | This code is intended for educational and research purposes only. Please ensure that you comply with relevant laws and regulations as well as the terms of service of the target website when using this code. The author is not responsible for any legal liabilities or other issues arising from the use of this code. 33 | 34 | ### Contact 35 | If you have any questions, you can contact me at: yuegao@fudan.edu.cn 36 | -------------------------------------------------------------------------------- /Code/Readme.md: -------------------------------------------------------------------------------- 1 | # AI Summarization for Organic Electroactive Molecules 2 | 3 | ### Description 4 | The "AI_summarization_for_organic_electroactive_molecules.py" script is the main program used to summarize molecular and electrochemical reaction information from the references. The pdf files under py2 floder are input files for presentation.The ''Output.txt'' file is output file. 5 | 6 | ### Operating System 7 | - Windows, Mac , Linux 8 | 9 | ### Necessary Python Modules 10 | - DrissionPage (most version should be fine) 11 | - loguru (most version should be fine) 12 | - requests (most version should be fine) 13 | 14 | ### Demo 15 | - The inputs are pdf files of literature or patents related to electrochemical organic synthesis, ''1.pdf'' is an example, and the input files should be placed under the py2 folder. 16 | - After running ''AI_summarization_for_organic_electroactive_molecules.py'', the output file (''Output.txt'') is expected to collect relevant reaction information, including reactants and products in a format of [compound A][CAS number], and the reaction conditions including temperature, potential, solvent, electrode, etc. 17 | 18 | ### Instructions for Use 19 | - Put the input pdf files in py2 folder，named in only numbers, ''1.pdf'' for example. 20 | - Run ''AI_summarization_for_organic_electroactive_molecules.py''. 21 | - To reproduce the paper, all pdf files of the references and patents mentioned in the ''References_and_patents.md'' under Data folder should be put in the py2 floder. Run ''AI_summarization_for_organic_electroactive_molecules.py''. The summarized content will be saved to ''Output.txt''. Runtime expected to be 20 days (Depends on the frequency of web page visits). After the necessary organization, the 20 redox-active centers' summarization files were obtained in the Data folder. 22 | 23 | ### Disclaimer 24 | - This code is intended for educational and research purposes only. Please ensure that you comply with relevant laws and regulations as well as the terms of service of the target website when using this code. The author is not responsible for any legal liabilities or other issues arising from the use of this code. -------------------------------------------------------------------------------- /Code/AI_summarization_for_organic_electroactive_molecules.py: -------------------------------------------------------------------------------- 1 | import time 2 | import DrissionPage.errors 3 | from loguru import logger 4 | from DrissionPage import ChromiumPage, ChromiumOptions 5 | import requests 6 | import os 7 | 8 | def main(): 9 | #检查输出文件，获得已处理的pdf目录，避免重复----Check the output file, get the processed PDF directory, avoid duplicates 10 | old_pdf_files = set() 11 | if os.path.exists('Code\Output.txt'): 12 | with open('Code\Output.txt', encoding='utf-8') as f: 13 | for text in f.read().strip().split('\n\n'): 14 | old_pdf_file = text.split('\n----')[0] 15 | old_pdf_files.add(old_pdf_file) 16 | 17 | #登录ChatGPT----Log in to ChatGPT 18 | co = ChromiumOptions() 19 | co.use_system_user_path() 20 | cp = ChromiumPage(co) 21 | cp.get('https://chatgpt.com/') 22 | if cp.ele('登录', timeout=2): 23 | raise '没有登录chatgpt，无法使用，请在浏览器上登录后重新启动\nNot logged into chatgpt, not working, please log in on your browser and restart it.' 24 | #如果此处报错，请尝试手动打开Chrome浏览器，登录chatgpt后，关闭所有Chrome浏览器，再重新运行----If an error is reported here, please try to open Chrome manually and close all Chrome browsers after logging in to chatgpt，finally rerun the code 25 | 26 | #读取待处理文件----Read the pending file 27 | #将所有需要处理的pdf文件用纯数字命名，放于py2文件夹下，详见Readme.md----Name all the pdf files that need to be processed in a pure number and put them in the py2 folder, see Readme.md for details 28 | pdf_files = os.listdir('Code\py2') 29 | pdf_files.sort(key=lambda x: int(x.split('.')[0])) 30 | for pdf_file in pdf_files: 31 | if pdf_file in old_pdf_files: 32 | continue 33 | pdf_abs_path = os.getcwd() + os.sep + 'Code\py2' + os.sep + pdf_file 34 | # 判断文件大小----Determine the file size 35 | with open(pdf_abs_path, 'rb') as f: 36 | file_size = len(f.read()) 37 | if file_size < 3000: 38 | #3000是经验判断可调整----3000 is based on experience and can be adjusted 39 | with open('Code\Output.txt', 'a', encoding='utf-8') as f: 40 | f.write(f'{pdf_file}\n----Irregular documents\n\n') 41 | else: 42 | while True: 43 | logger.info(f'Processing：{pdf_file}') 44 | # 切换到gpt4-all----Switch to gpt4-all 45 | cp.get('https://chatgpt.com/?model=gpt-4-all') 46 | try: 47 | cp.ele('tag:input').input(pdf_abs_path) 48 | except DrissionPage.errors.ElementLostError: 49 | time.sleep(10) 50 | cp.ele('tag:input').input(pdf_abs_path) 51 | #自定义提示词----Define the prompt word 52 | text = """ 53 | “假设你是有机电化学领域的专家，请帮我总结一下这篇文献里所有研究的分子以及发生的反应过程，用英文严格按照以下格式回复（被[]圈起来的是变量，需要你从pdf中提取，如果提取不到的留空处理，请勿回复其他内容）：、\n(1)[化合物A][CAS号]在[xxx]条件下发生反应，产物为[化合物B][CAS号]” 54 | """ 55 | cp.ele('#prompt-textarea').input(text) 56 | while True: 57 | if 'disabled' in cp.ele('@data-testid=send-button').attrs: 58 | time.sleep(1) 59 | continue 60 | cp.ele('@data-testid=send-button').click() 61 | break 62 | if '无法上传' in cp.html: 63 | continue 64 | reply_text = cp.ele('.markdown prose w-full break-words dark:prose-invert light', timeout=50).text 65 | with open('Code\Output.txt', 'a', encoding='utf-8') as f: 66 | f.write(f'{pdf_file}\n----{reply_text}\n\n') 67 | break 68 | 69 | 70 | if __name__ == '__main__': 71 | main() 72 | --------------------------------------------------------------------------------