├── .gitattributes ├── .gitignore ├── LICENSE ├── README.md ├── assets ├── llamole.png └── ui_example.png ├── config ├── generate │ ├── llama_drug.yaml │ ├── llama_material.yaml │ ├── mistral_drug.yaml │ ├── mistral_material.yaml │ ├── qwen_drug.yaml │ └── qwen_material.yaml └── train │ ├── llama_lora.yaml │ ├── mistral_lora.yaml │ └── qwen_lora.yaml ├── data ├── dataset_info.json ├── molqa_drug_examples.json ├── molqa_material_examples.json ├── molqa_train_examples.json └── property_ranges.json ├── install_environment.sh ├── launch.py ├── main.py ├── requirements.txt └── src ├── __init__.py ├── data ├── __init__.py ├── aligner.py ├── collator.py ├── data_utils.py ├── formatter.py ├── loader.py ├── parser.py ├── processors │ ├── __init__.py │ └── mmsupervised.py ├── template.py └── tool_utils.py ├── eval ├── __init__.py ├── dataset.py └── workflow.py ├── extras ├── __init__.py ├── constants.py ├── env.py ├── logging.py ├── misc.py ├── packages.py └── ploting.py ├── hparams ├── __init__.py ├── data_args.py ├── evaluation_args.py ├── finetuning_args.py ├── generating_args.py ├── model_args.py └── parser.py ├── model ├── __init__.py ├── adapter.py ├── graph_decoder │ ├── conditions.py │ ├── diffusion_model.py │ ├── diffusion_utils.py │ ├── layers.py │ ├── molecule_utils.py │ └── transformer.py ├── graph_encoder │ └── model.py ├── graph_predictor │ └── model.py ├── loader.py ├── model_utils │ ├── __init__.py │ ├── attention.py │ ├── checkpointing.py │ ├── embedding.py │ ├── longlora.py │ ├── misc.py │ ├── mod.py │ ├── moe.py │ ├── quantization.py │ ├── rope.py │ ├── unsloth.py │ └── valuehead.py ├── modeling_llamole.py ├── patcher.py └── planner │ ├── __init__.py │ ├── mol_node.py │ ├── mol_tree.py │ ├── molstar.py │ ├── reaction_node.py │ └── syn_route.py ├── train ├── __init__.py ├── callbacks.py ├── mmsft │ ├── __init__.py │ ├── metric.py │ ├── trainer.py │ └── workflow.py ├── trainer_utils.py └── tuner.py └── webui ├── __init__.py ├── dataset.py ├── 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