peastman
Software engineer at Stanford University creating tools for molecular simulation and deep learning.
Stanford University
Pinned Repositories
deepchem
Deep-learning models for Drug Discovery and Quantum Chemistry
mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
MolecularFileFormatSpecs
A repository of specs for file formats used in molecular modelling
openmm-plumed
OpenMM plugin to interface with PLUMED
openmm-wheels
openmm-xtb
OpenMM plugin to interface with XTB
pdbfixer
PDBFixer fixes problems in PDB files
quantum
sso
Sonatina Symphonic Orchestra
statmech
peastman's Repositories
peastman/sso
Sonatina Symphonic Orchestra
peastman/openmm-plumed
OpenMM plugin to interface with PLUMED
peastman/pdbfixer
PDBFixer fixes problems in PDB files
peastman/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
peastman/openmm-wheels
peastman/openmm-xtb
OpenMM plugin to interface with XTB
peastman/pdbfixer-build-wheels
Infrastructure to build Python wheels for PDBFixer
peastman/pdbfixer-wheels
Build wheels for PDBFixer
peastman/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
peastman/openmm-build-wheels
Infrastructure to build Python wheels for OpenMM
peastman/openmm-feedstock
A conda-smithy repository for openmm.
peastman/openmm-forcefields
CHARMM and AMBER forcefields for OpenMM
peastman/openmm-hip-feedstock
A conda-smithy repository for openmm-hip.
peastman/openmm-ml
High level API for using machine learning models in OpenMM simulations
peastman/openmm-org
Landing page for OpenMM
peastman/openmm-plumed-feedstock
A conda-smithy repository for openmm-plumed.
peastman/openmm-setup
An application for configuring and running simulations with OpenMM
peastman/openmm-setup-feedstock
A conda-smithy repository for openmm-setup.
peastman/openmm-torch
OpenMM plugin to define forces with neural networks
peastman/openmm-torch-build-wheels
Infrastructure to build Python wheels for OpenMM-Torch
peastman/openmm-torch-feedstock
A conda-smithy repository for openmm-torch.
peastman/openmm-torch-wheels
Build wheels for OpenMM-Torch
peastman/openmm-xla
Plugin using XLA to compute machine learning models in OpenMM
peastman/openmm-xtb-feedstock
A conda-smithy repository for openmm-xtb.
peastman/openmmexampleplugin
An example of how to write a plugin for OpenMM
peastman/pdbfixer-feedstock
A conda-smithy repository for pdbfixer.
peastman/sfzinstruments.github.io
sfz instruments website
peastman/spice-dataset
A collection of QM data for training potential functions
peastman/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
peastman/torchmd-net
Neural network potentials based on graph neural networks and equivariant transformers