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1. BHpredict BHpredict Public

   DeePHF models for Barrier Height prediction

   Python 2 2

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

   A collection of Nerual Network Models for chemistry

   167 25

3. CVHD_tutorial CVHD_tutorial Public

   Collective Variable HyperDynamics install manual

   xBase 3 1

4. pyqeq pyqeq Public

   simple implementation code with Qeq

   Python 5

5. QM9-Benchmark-record QM9-Benchmark-record Public

   A update QM9 benchmark, update form the recent articles

   1

6. deepmodeling/reacnetgenerator deepmodeling/reacnetgenerator Public

   an automatic reaction network generator for reactive molecular dynamics simulation

   Python 95 42