Scinformatic

SciDS

Last released May 14, 2025

None

CADDpy

Last released May 14, 2025

None

BBO

Last released Jun 11, 2025

None

AutoGridPy

Last released Jul 29, 2025

None

SciCoDa

Last released Jan 1, 2026

Scientific Constants and Datasets for Computational Sciences

numintegrator

Last released Jan 8, 2022

Numerical integrators for solving differential equations.

Arrayer

Last released Oct 26, 2025

None

SciShow

Last released May 14, 2025

None

SciAPI

Last released May 14, 2025

None

BindingSite

Last released Jul 29, 2025

None

SciFile

Last released May 14, 2025

None

Chemiverse

Last released Nov 17, 2025

None

DFHelp

Last released Dec 31, 2025

None

PDBAPI

Last released Dec 29, 2025

Python library for accessing RCSB Protein Data Bank (PDB) data and files

ORCA-API

Last released Nov 13, 2025

None

CIFFile

Last released Dec 31, 2025

A comprehensive Python library for reading, creating, processing, validating, and writing Crystallographic Information Files (CIF/mmCIF)

Pharmacophore

Last released Jul 29, 2025

None

duq

Last released Jan 6, 2022

DUQ provides tools for working with physical Dimensions, Units and Quantities, such as dimensional analysis and unit conversion.

mdforce

Last released Jan 8, 2022

MDForce is a package to calculate the force field, potential energy and related data in molecular dynamics simulations

QChemy

Last released Nov 13, 2025

None