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1. CoarseGrainingVAE CoarseGrainingVAE Public

   Geometric super-resolution for molecular geometries

   Python 37 6

2. torchmd/mdgrad torchmd/mdgrad Public

   Pytorch differentiable molecular dynamics

   Python 169 16

3. learningmatter-mit/NeuralForceField learningmatter-mit/NeuralForceField Public

   Neural Network Force Field based on PyTorch

   Jupyter Notebook 238 50

4. Coarse-Graining-Auto-encoders Coarse-Graining-Auto-encoders Public

   Jupyter Notebook 40 14

5. ML4MolEng ML4MolEng Public

   Materials for the course Machine Learning for Molecular Engineering (MIT Spring 2021).

   Jupyter Notebook 14 3

6. thermo-notes thermo-notes Public

   my notes on stat mech and thermodynamics

   TeX 2