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5e-monsters

Kobold Fight Club

ambermini

A stripped-down set of just antechamber, sqm, and tleap.

ani-driver-tutorial

Sphinx tutorial for SETCA 2024

azure-testing

A test repository to test azure devops CI in a non-production repo I can break

base_chirpy

a basic chirpy ghio page for use for alchemistry

conda-build

Commands and tools for building conda packages

conda-dev-recipes

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

conda-recipes

conda build recipes for the Omnia project

cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

cookietest

cookietestpip

covid

MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store

covid-19-exchange

dask-jobqueue

Deploy Dask on job schedulers like PBS, SLURM, and SGE

examol

Strategies for sampling over chemical space

fah-alchemy

protein-ligand alchemical free energy calculations via Folding@Home

ghatesting

Test Simple GitHub Action combinations and errors for personal and debug use

homebrew-cask

A CLI workflow for the administration of Mac applications distributed as binaries

hugo

The world’s fastest framework for building websites.

mdi-ani-driver

mdi-ani-workshop

mdtraj

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

minimal

Personal blog theme powered by Hugo

mminterconcept

The concept implementation for the MolSSI MM Interoperability project

molecool

Cool Molecule stuff

molecool_4_24

mongoengine-feedstock

A conda-smithy repository for mongoengine.

msf_2020a

netcdf-c

Official GitHub repository for netCDF-C libraries and utilities.

omnia-linux-anvil

Experimental version of conda-forge/linux-anvil to build openmm