Oneclient is the Onedata command line interface for mounting distributed virtual filesystem on local machines.

⚡ A Fast, Extensible Progress Bar for Python and CLI

A lightweight LLVM python binding for writing JIT compilers

A comprehensive macromolecular library

Official git repository for Biopython (originally converted from CVS)

Timeout decorator for Python

Protonate Your SMILES! Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/

FFFold: A tool for the quick optimisation of protein structures from AlphaFold DB

Converts an xyz file to an RDKit mol object

Working with molecular structures in pandas DataFrames

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

Dimorphite-DL adds hydrogen atoms to molecular representations, as appropriate for a user-specified pH range. It is a fast, accurate, accessible, and modular open-source program for enumerating sma…

𝛂Charges: A tool for the quick calculation of partial atomic charges for protein structures from AlphaFoldDB

MoleculeKit: Your favorite molecule manipulation kit

Adding hydrogens to molecular models

PPROpt is a Python application for the fast protein structure optimization.

Task scheduling library for Python

OpenMM is a toolkit for molecular simulation using high performance GPU code.

EEM parameters

PDBFixer fixes problems in PDB files

Python interface of cpptraj

Mol* Volumes and Segmentations Extension

The goal of FragmentSelector is selecting a fragment from a protein.

Návrhy propagačních materiálů bioinformatiky

EEM parameterization software

OverProt creates an overview of secondary structure elements in protein families.

SecStrAnnotator is a software tool for annotation (naming) of secondary structure elements.