Pinned Repositories
2020books
20 Most-Recommended Books for Software Developers
allanlab
Allan Lab website
alphafold
Open source code for AlphaFold.
amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
build-your-own-x
Master programming by recreating your favorite technologies from scratch.
calculator
Calculator class to showcase git development
foyer
A package for atom-typing as well as applying and disseminating forcefields
gmso
Flexible storage of chemical topology for molecular simulation
mbuild
A hierarchical, component based molecule builder
surface_coatings
mBuild recipe to create different surface coating structure.
daico007's Repositories
daico007/surface_coatings
mBuild recipe to create different surface coating structure.
daico007/alphafold
Open source code for AlphaFold.
daico007/build-your-own-x
Master programming by recreating your favorite technologies from scratch.
daico007/CECAM-MoSDeF-Workshop
Materials for the MoSDeF workshop at CECAM
daico007/colvars
Collective variables library for molecular simulation and analysis programs
daico007/foyer
A package for atom-typing as well as applying and disseminating forcefields
daico007/gmso
Flexible storage of chemical topology for molecular simulation
daico007/mbuild
A hierarchical, component based molecule builder
daico007/forcefield-utilities
MISC Utilities for MOSDEF Forcefields conversion
daico007/forcefield-utilities-feedstock
A conda-smithy repository for forcefield-utilities.
daico007/foyer-feedstock
A conda-smithy repository for foyer.
daico007/gmso-feedstock
A conda-smithy repository for gmso.
daico007/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.
daico007/HydraGNN
Distributed PyTorch implementation of multi-headed graph convolutional neural networks
daico007/iMoDELS-supplements
daico007/lean4
Lean 4 programming language and theorem prover
daico007/mbuild-feedstock
A conda-smithy repository for mbuild.
daico007/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
daico007/MoSDeF-dihedral-fit
MoSDeF-dihedral-fit: A simple software package to fit dihedrals using the MoSDeF
daico007/mosdef-dihedral-fit-feedstock
A conda-smithy repository for mosdef-dihedral-fit.
daico007/MoSDeF-GOMC
A hierarchical, component based molecule builder
daico007/mosdef-hub.github.io
Umbrella Website for MoSDeF
daico007/mosdef_tutorials
A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
daico007/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.
daico007/pytim
a python package for the interfacial analysis of molecular simulations
daico007/reproducibility_study
Repo for data collection, discussion, etc for a MoSDeF reproducibility study.
daico007/SMARTREE
daico007/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
daico007/vmd-python
Installable VMD as a python module
daico007/vscodium
binary releases of VS Code without MS branding/telemetry/licensing