Pinned Repositories
awesome-molecular-dynamics
:sunglasses: A curated list of awesome Molecular Dynamics libraries, tools and software.
BoltzmannGenerator
An implementation of Boltzmann generators using pytorch.
flex_ddG_tutorial
FreeSolv
Experimental and calculated small molecule hydration free energies
gans
GANs in slanted land
latex-resources
Collection of LaTeX resources and examples.
mutant-protein-stability
Modeling the effects of mutations in proteins using PyRosetta
normalizing-flows
NormalizingFlowNetwork
Bayesian and Maximum Likelihood Implementation of the Normalizing Flow Network (NFN)
ommprotocol
A command line application to launch molecular dynamics simulations with OpenMM
sjlee-jpg's Repositories
sjlee-jpg/awesome-molecular-dynamics
:sunglasses: A curated list of awesome Molecular Dynamics libraries, tools and software.
sjlee-jpg/BoltzmannGenerator
An implementation of Boltzmann generators using pytorch.
sjlee-jpg/flex_ddG_tutorial
sjlee-jpg/FreeSolv
Experimental and calculated small molecule hydration free energies
sjlee-jpg/gans
GANs in slanted land
sjlee-jpg/latex-resources
Collection of LaTeX resources and examples.
sjlee-jpg/mutant-protein-stability
Modeling the effects of mutations in proteins using PyRosetta
sjlee-jpg/normalizing-flows
sjlee-jpg/NormalizingFlowNetwork
Bayesian and Maximum Likelihood Implementation of the Normalizing Flow Network (NFN)
sjlee-jpg/ommprotocol
A command line application to launch molecular dynamics simulations with OpenMM
sjlee-jpg/PyRosetta.notebooks
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
sjlee-jpg/se3cnn
Euclidean Neural Networks
sjlee-jpg/stochastic_normalizing_flows
Stochastic Normalizing Flows