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304 projects with the selected classifier

Filter Topic :: Scientific/Engineering :: Chemistry

abipy 0.4.1

Python package to automate ABINIT calculations and analyze the results.

access2theMatrix 0.3.1

Scienta Omicron (NanoScience) (NanoTechnology) MATRIX Control System result file accessing tool

ACEMD 1.0

aceto 0.0.5

Accelerated Charge and Energy Transfer Objects

AChemKit 0.3.0

An Artificial Chemistry Tookit

ADER 1.1.0

The ADER method for solving any (potentially very stiff) hyperbolic system of PDEs

APS_BlueSky_tools 0.0.20

Various Python tools for use with BlueSky at the APS

aseqe 0.3.1

Python API for the Quantum Espresso software

Aston 0.7a0

Mass/UV Spectral Analysis Program

atomic-hpc 0.2.1

A package for running multiple executable scripts on both local and remote hosts, configured using a modern standard YAML

atomium 0.9.0

A molecular modeller and file parser.

backmap 0.2.2

Shows protein backbone structures in compact graphical form using Ramachandran numbers

bapt 1.0.0

Band alignment plotting tool

bce 4.7.9647

A chemical equation balancer.

bhmm 0.6.2

BHMM: A toolkit for Bayesian hidden Markov model analysis of single-molecule trajectories.

bio-jade 1.0

A repository for modules and applications to aid in the design and analysis of Biological molecules, especially when working with Rosetta or PyRosetta.

biometal 0.1.0

Tools for dealing with metal binding sites.

BioMine 0.9.2

Bioinformatics data-mining

biowardrobe-cwl-workflows 1.0.20180421012315

Wrapped BioWardrobe's CWL files

blender-chemicals 0.2.1

Imports chemicals into blender with open babel.

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