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poltype2
poltype2 PublicForked from TinkerTools/poltype2
Poltype 2: Automated Parameterization and Free Energy Prediction for AMOEBA
Python
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openmm-tutorial-msbs
openmm-tutorial-msbs PublicForked from molmod/openmm-tutorial-msbs
OpenMM tutorial for the MSBS course
Jupyter Notebook
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openmm
openmm PublicForked from openmm/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
C++
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DMFF
DMFF PublicForked from deepmodeling/DMFF
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
Python
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