Popular repositories

1. msmbuilder_codes_scripts msmbuilder_codes_scripts Public

   Forked from wwangat/msmbuilder_codes_scripts

   Analyzing large-scale MD simulations by MSM modeling and TPT analysis.

   C++

2. tutorials tutorials Public

   Forked from mlss-2019/tutorials

   Jupyter Notebook

3. ff-bn-w ff-bn-w Public

   Forked from wuyb02/ff-bn-w

   Force field parameters between hexagonal boron nitride and water and code for LAMMPS

   C++

4. PHMLBE PHMLBE Public

   Forked from ChenXinAtPKU/PHMLBE

   Persistent topology based machine learning prediction of cluster binding energies

   Python

5. ML-in-chemistry-101 ML-in-chemistry-101 Public

   Forked from BingqingCheng/ML-in-chemistry-101

   The course materials for "Machine Learning in Chemistry 101"

   Jupyter Notebook

6. QuantumDeepField_molecule QuantumDeepField_molecule Public

   Forked from BingqingCheng/QuantumDeepField_molecule

   Quantum deep field for molecule

   Python