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1. Neural-Network-Models-for-Chemistry Neural-Network-Models-for-Chemistry Public

   A collection of Nerual Network Models for chemistry

   87 13

2. CVHD_tutorial CVHD_tutorial Public

   Collective Variable HyperDynamics install manual

   xBase 3 1

3. DNAcode DNAcode Public

   Some codes make the operation parameter

   Jupyter Notebook 1 3

4. pyqeq pyqeq Public

   simple implementation code with Qeq

   Python 4

5. SYMMFUNC SYMMFUNC Public

   simple symmetry function implementation

   Python

6. QM9-Benchmark-record QM9-Benchmark-record Public

   A update QM9 benchmark, update form the recent articles