Skip to content

Popular repositories Loading

  1. molecularGSM molecularGSM Public

    code for single-ended and double-ended molecular GSM

    C++ 50 30

  2. pyGSM pyGSM Public

    Thermal and photochemical reaction path optimization and discovery

    Python 50 26

  3. conformer-rl conformer-rl Public

    A deep reinforcement learning library for conformer generation.

    Python 18 5

  4. ActiveTransfer ActiveTransfer Public

    Jupyter Notebook 12 1

  5. ZStruct ZStruct Public

    code for ZStruct-2

    C++ 11 6

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

    Python 7 1

Repositories

Showing 10 of 25 repositories

Top languages

Loading…

Most used topics

Loading…