Co Quach's repositories
forcefield-utilities-feedstock
A conda-smithy repository for forcefield-utilities.
vscodium
binary releases of VS Code without MS branding/telemetry/licensing
llama
Inference code for LLaMA models
amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
pytorch-deep-learning
Materials for the Learn PyTorch for Deep Learning: Zero to Mastery course.
unyt
Handle, manipulate, and convert data with units in Python
pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
HierGO
A hierarchical approach of generating MD simulation-ready tiled graphene oxide stacks
interactive-tutorials
Interactive Tutorials
line_profiler
Line-by-line profiling for Python
DragGAN
Code for DragGAN (SIGGRAPH 2023)
pandas-ai
Pandas AI is a Python library that integrates generative artificial intelligence capabilities into Pandas, making dataframes conversational
ParmEd
Parameter/topology editor and molecular simulator
signac
Manage large and heterogeneous data spaces on the file system.
signac-flow
Workflow management for signac-managed data spaces.
MetaBCI
MetaBCI: an open-source platform for non-invasive brain computer interface
martinize.py
Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.
FOMMS-workshop
Collection of example workflows prepared for MoSDeF workshop at FOMMS 2022
openff-interchange
A project (and object) for storing, manipulating, and converting molecular mechanics data.
conda-forge-pinning-feedstock
A conda-smithy repository for conda-forge-pinning.
TRUE-nanotribology
Nanotribology workflow example of TRUE simulation
mbuild-cookiecutter
Cookiecutter for mBuild recipes
element
A lightweight package with the periodic table of the elements
Pore-Builder
mBuild recipe for building slit-pores.
foyer_tutorials
A set of tutorials to introduce new users to Foyer