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anaconda-client

Anaconda Server Client

avogenerators

Python input file generators for Avogadro 2

bioconda-recipes

Conda recipes for the bioconda channel.

biojava

:book::microscope::coffee: BioJava is an open-source project dedicated to providing a Java library for processing biological data.

bpython

Parser for fasta and pdb files and more...

calculations-aws-examples

cddd

Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.

chembl_api_parsing

Working with ChEMBL Data Web Services to retrieve data.

chemplot

A python package for chemical space visualization.

cinfony

Simplified and standard interface to a number of cheminformatics toolkits

elabftw

:notebook: eLabFTW is the most popular open source electronic lab notebook for research labs.

ez-pca

Principal Component Analysis of Molecular Dynamics Trajectories

herg_dnn

macformer

maize-contrib

Contributed and additional nodes for maize

md-task

Tool suite for analysing molecular dynamics trajectories using network analysis and PRS

mmtools

Some collected tools for molecular simulation pipelines

mode-task

msmbuilder

:building_construction: Statistical models for biomolecular dynamics :building_construction:

nizamibilal

nizamibilal.github.io

openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

pca_python

pocket2mol

Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets

prolif

Interaction Fingerprints for protein-ligand complexes and more

propka-3.1

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

py3mode-task

pyMOL plugin of MODE-TASK tool with support for python3

pymode-task

pymode-task-1

MODE-TASK plugin for PyMOL

pymol-script-repo

Collected scripts for Pymol