├── LICENSE ├── README.md ├── base.py ├── batch_norm.py ├── config.json ├── eval.py ├── gmm.py ├── gp.py ├── infer_model.py ├── lets_start.py ├── logger.py ├── model.py ├── ops.py ├── pics └── scheme.png ├── reactions.py ├── realreaction.py ├── rnn.py └── util.py /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/README.md -------------------------------------------------------------------------------- /base.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/base.py -------------------------------------------------------------------------------- /batch_norm.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/batch_norm.py -------------------------------------------------------------------------------- /config.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/config.json -------------------------------------------------------------------------------- /eval.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/eval.py -------------------------------------------------------------------------------- /gmm.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/gmm.py -------------------------------------------------------------------------------- /gp.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/gp.py -------------------------------------------------------------------------------- /infer_model.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/infer_model.py -------------------------------------------------------------------------------- /lets_start.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/lets_start.py -------------------------------------------------------------------------------- /logger.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/logger.py -------------------------------------------------------------------------------- /model.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/model.py -------------------------------------------------------------------------------- /ops.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/ops.py -------------------------------------------------------------------------------- /pics/scheme.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/pics/scheme.png -------------------------------------------------------------------------------- /reactions.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/reactions.py -------------------------------------------------------------------------------- /realreaction.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/realreaction.py -------------------------------------------------------------------------------- /rnn.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/rnn.py -------------------------------------------------------------------------------- /util.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lightingghost/chemopt/HEAD/util.py --------------------------------------------------------------------------------