Popular repositories Loading

1. pyGSM pyGSM Public

   Thermal and photochemical reaction path optimization and discovery

   Python 73 36

2. molecularGSM molecularGSM Public

   code for single-ended and double-ended molecular GSM

   C++ 64 34

3. conformer-rl conformer-rl Public

   A deep reinforcement learning library for conformer generation.

   Python 19 5

4. ActiveTransfer ActiveTransfer Public

   Jupyter Notebook 15 2

5. ZStruct ZStruct Public

   code for ZStruct-2

   C++ 14 6

6. py-conformational-sampling py-conformational-sampling Public

   Python 10 1