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cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

coverage-feedstock

A conda-smithy repository for coverage.

covid_moonshot_submissions

Data from the COVID Moonshot project

critic2

Analysis of quantum chemical interactions in molecules and solids.

csg-tutorials

coarse-graining tutorials

dcd-extractor

demo-cookie-a

demo-cookie-b

demo-project-cookie

dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

dgl-feedstock

A conda-smithy repository for dgl.

docker-alpine-miniconda3

The smallest Docker image with Miniconda3 (Python 3.6) (~143MB)

docker-cmelab

Docker files for CME-Lab software

docker-images

Repository of Docker images created by Continuum Analytics

docker-mbuild

Docker container with mbuild, jupyter notebook, and miniconda with python3.6

docker-socket-proxy

Proxy over your Docker socket to restrict which requests it accepts

docs

System76 support documentation site

docs.carpentries.org

Community Documentation for the Carpentries

dofiles

duecredit

Automated collection and reporting of citations for used software/methods/datasets

duperemove

Tools for deduping file systems

espaloma

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

espaloma-feedstock

A conda-smithy repository for espaloma.

espaloma_charge-feedstock

A conda-smithy repository for espaloma_charge.

expert-journey

fah-alchemy

protein-ligand alchemical free energy calculations via Folding@Home

fcos

This repository contains a PyTorch implementation of the work: FCOS: Fully Convolutional One-Stage Object Detection

fcos-feedstock

A conda-smithy repository for fcos.

fish-shell-cookbook

Tips and recipes for fish, from shell to plate.

fomms-2015

Workshop for FOMMS 2015 conference