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The Top 22 Bioinformatics Chemistry Open Source Projects

Open source projects categorized as Bioinformatics Chemistry
Categories > Data Processing > Bioinformatics
Categories > Science > Chemistry
Tdc ⭐ 889
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science
dependent packages 4total releases 32most recent commit 4 months agopypi PyTDC} Downloads
Awesome Cheminformatics ⭐ 473
A curated list of Cheminformatics libraries and software.
most recent commit a year ago
Cdk ⭐ 453
The Chemistry Development Kit
dependent packages 69total releases 17most recent commit 3 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
Lightdock ⭐ 234
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
most recent commit 3 months ago
Pdb2pqr ⭐ 99
PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
dependent packages 3total releases 17most recent commit 3 months agopypi pdb2pqr} Downloads
Celescope ⭐ 73
Single Cell Analysis Pipelines
total releases 59most recent commit 3 months ago
Awesome Scientific Go ⭐ 62
Go libraries for scientific computing
most recent commit 4 years ago
Awesome Structural Bioinformatics ⭐ 54
Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.
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
Apbs ⭐ 44
Software for biomolecular electrostatics and solvation calculations
most recent commit a year ago
Pycontact ⭐ 34
Analysis of non-covalent interactions in MD trajectories
total releases 2most recent commit a year ago
Awesome Sequencing Tech Papers ⭐ 26
A collection of publications on comparison of high-throughput sequencing technologies.
most recent commit 5 months ago
Electrostatics.github.io ⭐ 23
APBS & PDB2PQR - software for biomolecular electrostatics and solvation
most recent commit 2 years ago
Correlationplus ⭐ 18
A Python package to calculate, visualize and analyze correlation maps of proteins.
most recent commit 2 years ago
Biobtree ⭐ 13
A bioinformatics tool to search, map and retrieve identifiers, keywords and attributes
total releases 19most recent commit 2 years ago
Proteindf ⭐ 12
Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein
most recent commit 4 months ago
Vespucci ⭐ 12
A free (open source), cross-platform tool for spectroscopic data analysis and imaging
most recent commit 4 years ago
Smpl ⭐ 10
most recent commit a year ago
Avogenerators ⭐ 8
Python input file generators for Avogadro 2
most recent commit 6 months ago
Ambit Mirror ⭐ 6
GitHub read-only mirror of AMBIT
most recent commit 8 months ago
Gdock ⭐ 6
Protein-Protein Docking using Genetic Algorithm
most recent commit 2 years ago
The 4 Most Depended On Bioinformatics Chemistry Open Source Projects
Cdk ⭐ 453
The Chemistry Development Kit
dependent packages 69total releases 17latest release August 21, 2023most recent commit 3 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
Tdc ⭐ 889
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science
dependent packages 4total releases 32latest release January 27, 2023most recent commit 4 months agopypi PyTDC} Downloads
Pdb2pqr ⭐ 99
PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
dependent packages 3total releases 17latest release January 24, 2022most recent commit 3 months agopypi pdb2pqr} Downloads
The 7 Latest Releases In Bioinformatics Chemistry Open Source Projects
Celescope ⭐ 73
Single Cell Analysis Pipelines
total releases 59latest release November 16, 2023most recent commit 3 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
Cdk ⭐ 453
The Chemistry Development Kit
dependent packages 69total releases 17latest release August 21, 2023most recent commit 3 months ago
Tdc ⭐ 889
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science
dependent packages 4total releases 32latest release January 27, 2023most recent commit 4 months agopypi PyTDC} Downloads
Pdb2pqr ⭐ 99
PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
dependent packages 3total releases 17latest release January 24, 2022most recent commit 3 months agopypi pdb2pqr} Downloads
Biobtree ⭐ 13
A bioinformatics tool to search, map and retrieve identifiers, keywords and attributes
total releases 19latest release March 30, 2021most recent commit 2 years ago
Pycontact ⭐ 34
Analysis of non-covalent interactions in MD trajectories
total releases 2latest release September 01, 2020most recent commit a year ago
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