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The Top 23 Science Chemistry Open Source Projects

Open source projects categorized as Science Chemistry
Categories > Science > Chemistry
Categories > Science > Science
Bioicons ⭐ 1,055
A library of free open source icons for science illustrations in biology and chemistry
most recent commit 3 months ago
Nwchem ⭐ 442
NWChem: Open Source High-Performance Computational Chemistry
total releases 1most recent commit 3 months ago
Smilesdrawer ⭐ 371
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
dependent packages 4total releases 27most recent commit 4 months agonpm smiles-drawer} Downloads
Periodum ⭐ 347
Periodum: An Interactive, Open-Source Periodic Table!
most recent commit a year ago
Awesome Materials Informatics ⭐ 310
Curated list of known efforts in materials informatics = modern materials science
most recent commit 6 months ago
Avogadro ⭐ 283
Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
most recent commit 3 years ago
Ord Data ⭐ 155
Official data repository for the Open Reaction Database
most recent commit 8 months ago
Scicompforchemists ⭐ 149
Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.
most recent commit 5 months ago
Senpai ⭐ 124
Molecular dynamics simulation software
most recent commit 10 months ago
Periodic Table ⭐ 117
Periodic elements data
dependent packages 8total releases 8most recent commit 6 years agonpm periodic-table} Downloads
Sandboxels ⭐ 95
In-browser falling-sand simulation game with over 400 elements and thousands of reactions.
most recent commit 3 months ago
Mlearn ⭐ 83
Benchmark Suite for Machine Learning Interatomic Potentials for Materials
most recent commit 2 years ago
Foundry ⭐ 71
Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
dependent packages 2total releases 29most recent commit 3 months agopypi foundry-ml} Downloads
Yesterday I Learned ⭐ 69
Brainfarts are caused by the rupturing of the cerebral sphincter.
most recent commit 3 months ago
Molecules ⭐ 64
chemical graph theory library for JavaScript
most recent commit 7 years ago
Awesome Scientific Go ⭐ 62
Go libraries for scientific computing
most recent commit 4 years ago
Chemicaljson ⭐ 53
Development of the Chemical JSON data representation
most recent commit a year ago
Qmflows ⭐ 44
This library tackles the construction and efficient execution of computational chemistry workflows
dependent packages 5total releases 9most recent commit 7 months agopypi qmflows} Downloads
Pem Dataset1 ⭐ 43
Proton Exchange Membrane (PEM) Fuel Cell Dataset
most recent commit 2 years ago
Mpmc ⭐ 42
A Monte Carlo molecular simulation software especially suited for materials simulations with polarizable models
most recent commit 4 months ago
Thermoparser ⭐ 31
A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science.
most recent commit 7 months ago
Simple Spectro ⭐ 31
Very cheap, autonomous and precise spectrophotometer for DIY biology and chemistry.
most recent commit 2 years ago
Sella ⭐ 29
A Python software package for saddle point optimization and minimization of atomic systems.
most recent commit a year ago
The 6 Most Depended On Science Chemistry Open Source Projects
Periodic Table ⭐ 117
Periodic elements data
dependent packages 8total releases 8latest release April 28, 2017most recent commit 6 years agonpm periodic-table} Downloads
Qmflows ⭐ 44
This library tackles the construction and efficient execution of computational chemistry workflows
dependent packages 5total releases 9latest release October 06, 2023most recent commit 7 months agopypi qmflows} Downloads
Cat ⭐ 14
A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.
dependent packages 4total releases 11latest release June 27, 2022most recent commit 8 months agopypi nlesc-CAT} Downloads
Smilesdrawer ⭐ 371
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
dependent packages 4total releases 27latest release January 21, 2023most recent commit 4 months agonpm smiles-drawer} Downloads
Foundry ⭐ 71
Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
dependent packages 2total releases 29latest release November 13, 2023most recent commit 3 months agopypi foundry-ml} Downloads
The 10 Latest Releases In Science Chemistry Open Source Projects
Foundry ⭐ 71
Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
dependent packages 2total releases 29latest release November 13, 2023most recent commit 3 months agopypi foundry-ml} Downloads
Nano Qmflows ⭐ 9
Package containing several workflows to compute molecular properties for nanomaterials
total releases 11latest release October 11, 2023most recent commit 7 months ago
Qmflows ⭐ 44
This library tackles the construction and efficient execution of computational chemistry workflows
dependent packages 5total releases 9latest release October 06, 2023most recent commit 7 months agopypi qmflows} Downloads
Astronomica ⭐ 9
A python library for astronomy.
total releases 10latest release April 22, 2023most recent commit a year ago
Smilesdrawer ⭐ 371
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
dependent packages 4total releases 27latest release January 21, 2023most recent commit 4 months agonpm smiles-drawer} Downloads
Nwchem ⭐ 442
NWChem: Open Source High-Performance Computational Chemistry
total releases 1latest release August 31, 2022most recent commit 3 months ago
Cat ⭐ 14
A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.
dependent packages 4total releases 11latest release June 27, 2022most recent commit 8 months agopypi nlesc-CAT} Downloads
Chemispy ⭐ 28
A library for using chemistry in your applications
total releases 11latest release September 24, 2021most recent commit 2 years ago
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