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amb2gro_latpress

Scripts to run lateral pressure with Amber and analyzing with GROMACS

ambertools-feedstock

A conda-smithy repository for ambertools.

ascii-art

A Node.js library for ansi codes, figlet fonts, ascii art and other ASCII graphics

bagpype

Official repository for BagPype - Biomolecular atomistic graph construction software in Python for proteins etc

chempy

⚗ A package useful for chemistry written in Python

colabdesign

Making Protein Design accessible to all via Google Colab!

colors

Protein contacts prediction

dbmd

Deep Boosted Molecular Dynamics

docker-prometheus-nvidiasmi

Dockerized Prometheus exporter for GPU statistics from nvidia-smi written in Go.

film3x

Modification of FILM3 algorithm to incorporate membrane potential term [bioinformatics]

haddock3

The official repo of the new modular BioExcel2 version of HADDOCK

hh-suite

Remote protein homology detection suite.

keras-contrib

Keras community contributions

localcolabfold

ColabFold on your local PC

memembed

Membrane protein orientation using a genetic algorithm and knowledge-based statistical potential [bioinformatics]

molecularnodes

Addon and nodes for working with structural biology and molecular data in Blender.

opengamepadui

Open source gamepad-native game launcher and overlay

packmol

Packmol

pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

pdbremix

analyse PDB files, run molecular-dynamics & analyse trajectories

pebble-game-algorithm

pebble game algorithm

proq_scripts

rgn

Recurrent Geometric Networks for end-to-end differentiable learning of protein structure

staged-recipes

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

thermonet

ThermoNet is a computational framework for quantitative prediction of the impact of single-point mutations on protein thermodynamic stability. The core algorithm of ThermoNet is an ensemble of deep 3D convolutional neural networks.

topcons2

Github for the TOPCONS2

vflp

VirtualFlow for Ligand Preparation

whiscy

New version of the code of the Whisky bioinformatic predictor of protein-protein interfaces