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artofillusion

Core application, Art of Illusion modeling and rendering suite

cbang

C! (cbang) is a library of cross-platform C++ utilities.

conda-dev-recipes

Conda development recipes (*-dev packages), built nightly

conda-recipes

conda build recipes for the Omnia project

conda-recipes-cuda

Omnia conda recipes that require CUDA images to build

deepchem

Deep-learning models for Drug Discovery and Quantum Chemistry

deeplearninglifesciences

Example code from the book "Deep Learning for the Life Sciences"

godot

Godot Engine – Multi-platform 2D and 3D game engine

koma

A scientific computing library for Kotlin. https://kyonifer.github.io/koma

mdtraj

A modern, open library for the analysis of molecular dynamics trajectories

molecularfileformatspecs

A repository of specs for file formats used in molecular modelling

msmbuilder

Statistical models for biomolecular dynamics

nequip

NequIP is a code for building E(3)-equivariant interatomic potentials

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

openmm-cookbook

Proof-of-concept for the OpenMM Cookbook

openmm-feedstock

A conda-smithy repository for openmm.

openmm-forcefields

CHARMM and AMBER forcefields for OpenMM

openmm-ml

High level API for using machine learning models in OpenMM simulations

openmm-ml-feedstock

A conda-smithy repository for openmm-ml.

openmm-nn

OpenMM plugin to define forces with neural networks

openmm-org

Landing page for OpenMM

openmm-plumed

OpenMM plugin to interface with PLUMED

openmm-plumed-feedstock

A conda-smithy repository for openmm-plumed.

openmm-setup

An application for configuring and running simulations with OpenMM

openmm-torch

OpenMM plugin to define forces with neural networks

openmm-torch-feedstock

A conda-smithy repository for openmm-torch.

openmm-torch-wheels

Build wheels for OpenMM-Torch

openmm-webbuilder

JS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.

openmm-wheels