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253 projects.

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abipy 0.2.0

Python package to automate ABINIT calculations and analyze the results.

access2theMatrix 0.3.0

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

aseqe 0.3.1

Python API for the Quantum Espresso software

Aston 0.7a0

Mass/UV Spectral Analysis Program

atomic-hpc 0.1.7

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

atomium 0.6.0

A molecular modeller and file parser.

bce 4.7.9645

A chemical equation balancer.

bhmm 0.6.1

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

BioMine 0.9.2

Bioinformatics data-mining

blender-chemicals 0.2.1

Imports chemicals into blender with open babel.

bumps 0.7.6

Data fitting with bayesian uncertainty analysis

calibrate 0.10.0

Interpolate using a calibration curve

cclib 1.5.2

cclib: parsers and algorithms for computational chemistry

CGRtools 2.6.10

CGR tools

chembl_assay_network 0.8.1

Python package generating compound co-occurance matrix for all assays from given document

chembl_beaker 1.2.16

RDKit in the Bottle on Tornado

chembl_business_model 0.8.1

Python package providing chembl webservices API.

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