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3dmol.js

WebGL accelerated JavaScript molecular graphics library

abc_changes

abc_example

about

Website about the project WorkflowHub

achlysbackend

airflow

Apache Airflow - A platform to programmatically author, schedule, and monitor workflows

alchemical-analysis

An open tool implementing some recommended practices for analyzing alchemical free energy calculations

alphafold_pytorch

An implementation of the DeepMind's AlphaFold based on PyTorch for research

alpine-dask-docker

Tiny Dask Docker images based on Alpine Linux

amberutils

Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods

ansible-role-ambertools

Ansible role to deploy and configure ambertools

awesome-deep-learning

A curated list of awesome Deep Learning tutorials, projects and communities.

awesome-pipeline

A curated list of awesome pipeline toolkits inspired by Awesome Sysadmin

awesome-serverless

:cloud: A curated list of awesome services, solutions and resources for serverless / nobackend applications.

azureml-containers

Docker containers for running training scripts on AzureML

bat.py

The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems.

biobb_chemistry

biobb_wf_md_setup_api

This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, accessing the BioExcel Building Blocks library (biobb) through the REST API.

bioconda-recipes

Conda recipes for the bioconda channel.

bionitio

Demonstrating best practices for bioinformatics command line tools

biosimspace

Code and resources for the EPSRC BioSimSpace project.

biothings_explorer_trapi

TRAPI service for BioThings Explorer

bootable

BiOinfOrmatics ThreAded Benchmark tooLsuitE (BOOTABLE)

boutiques

A cross-platform descriptive command-line framework for applications

cat-recognition-app

The repository include code for build a ML application using Flask, Tensorflow

charts

Curated applications for Kubernetes

chemper

Repository for Chemical Perception Sampling Tools

clowdr

Command-line utility for iteratively developing pipelines, deploying them at scale, and sharing data and derivatives

common-workflow-language

Repository for the CWL standards. Use https://cwl.discourse.group/ for support 😊

composer

Visual and code editor for Common Workflow Language