Co Quach's repositories
surface_coatings
mBuild recipe to create different surface coating structure.
amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
CECAM-MoSDeF-Workshop
Materials for the MoSDeF workshop at CECAM
gmso
Flexible storage of chemical topology for molecular simulation
forcefield-utilities
MISC Utilities for MOSDEF Forcefields conversion
forcefield-utilities-feedstock
A conda-smithy repository for forcefield-utilities.
foyer-feedstock
A conda-smithy repository for foyer.
GithubPractice
Practice
gmso-feedstock
A conda-smithy repository for gmso.
gromacs
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
HydraGNN
Distributed PyTorch implementation of multi-headed graph convolutional neural networks
lean4
Lean 4 programming language and theorem prover
llama
Inference code for LLaMA models
mbuild-feedstock
A conda-smithy repository for mbuild.
MoSDeF-dihedral-fit
MoSDeF-dihedral-fit: A simple software package to fit dihedrals using the MoSDeF
mosdef-dihedral-fit-feedstock
A conda-smithy repository for mosdef-dihedral-fit.
MoSDeF-GOMC
A hierarchical, component based molecule builder
mosdef-hub.github.io
Umbrella Website for MoSDeF
mosdef_tutorials
A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
PoreBlazer
PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from the CSD MOF.
pytim
a python package for the interfacial analysis of molecular simulations
reproducibility_study
Repo for data collection, discussion, etc for a MoSDeF reproducibility study.
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
vmd-python
Installable VMD as a python module
vscodium
binary releases of VS Code without MS branding/telemetry/licensing