richardjgowers

MDAnalysis-coarsegraining

An attempt at making a special subtype of MDAnalysis.Universe which allows a mapping scheme to be applied on the fly to an atomistic trajectory.

dasPDB

MDAnalysis_CIFReading

Reading cif files with MDAnalysis

asmjit

Complete x86/x64 JIT and AOT Assembler for C++

chemfiles

Library for reading and writing chemistry files

cinnabar-feedstock

A conda-smithy repository for cinnabar.

conda

OS-agnostic, system-level binary package manager and ecosystem

distopia_2_the_highway_warrior

fireworks

The Fireworks Workflow Management Repo.

gemmi

macromolecular crystallography library and utilities

gufe-feedstock

A conda-smithy repository for gufe.

jose-docs

Documentation for the Journal of Open Source Education

kartograf-feedstock

A conda-smithy repository for kartograf.

lomap2-feedstock

A conda-smithy repository for lomap2.

map4

The MinHashed Atom Pair fingerprint of radius 2

mm_portal

nglview

IPython widget to interactively view molecular structures and trajectories

OMSF

OMSF website

openfe-analysis-feedstock

A conda-smithy repository for openfe-analysis.

openfe-feedstock

A conda-smithy repository for openfe.

openff-interchange

A project (and object) for storing, manipulating, and converting molecular mechanics data.

openmm-mdanalysis-reporter

openmoltools

An open set of tools for automating tasks relating to small molecules

pdbinf-feedstock

A conda-smithy repository for pdbinf.

pyyaehmop

Python bindings to Yaehmop

rdkit

The official sources for the RDKit library

scipy_proceedings

Tools used to generate the SciPy conference proceedings

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

TeachOpenCADD

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

yaehmop-feedstock

A conda-smithy repository for yaehmop.