Popular repositories Loading

1. pyGSM pyGSM Public

   Thermal and photochemical reaction path optimization and discovery

   Python 67 31

2. molecularGSM molecularGSM Public

   code for single-ended and double-ended molecular GSM

   C++ 59 31

3. conformer-rl conformer-rl Public

   A deep reinforcement learning library for conformer generation.

   Python 19 5

4. ZStruct ZStruct Public

   code for ZStruct-2

   C++ 14 6

5. ActiveTransfer ActiveTransfer Public

   Jupyter Notebook 14 2

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

   Python 9 1