0 "chemistry" Awesome Lists
awesome-python-chemistry
A curated list of Python packages related to chemistry
atomistic-simulations chemistry computational-chemistry molecular-dynamics python-chemistry quantum-chemistry simulation
1,329 stars
223 forks
152 projects
Last updated: 26 Dec 2025
awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
awesome awesome-list bioinformatics cheminformatics chemistry
819 stars
127 forks
108 projects
Last updated: 13 Jan 2026
awesome-materials-informatics
Curated list of known efforts in materials informatics, i.e. in modern materials science
ab-initio atomistic-simulations awesome awesome-list chemistry computational-materials computational-materials-engineering crystal-structure crystallography data-science
482 stars
104 forks
133 projects
Last updated: 25 Dec 2025
awesome-chemistry-datasets
overview of datasets for ML in chemistry
ai awesome chemistry data hacktoberfest machine-learning molecules
376 stars
43 forks
81 projects
Last updated: 10 Jan 2026
awesome-chemical-engineering-education
A curated list of online chemical engineering education resources
awesome awesome-list chemical-engineering cheminformatics cheminformatics-and-compchem chemistry education python-chemistry
171 stars
18 forks
85 projects
Last updated: 30 Dec 2025
awesome-structural-bioinformatics
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.
alphafold awesome-list bioinformatics bioinformatics-analysis bioinformatics-pipeline biology cheminformatics chemistry deep-learning docking
75 stars
11 forks
173 projects
Last updated: 18 Dec 2025
awesome-ai4chem
Awesome AI for chemistry papers
ai-for-science chemistry deep-learning machine-learning neural-network reinforcement-learning
40 stars
6 forks
85 projects
Last updated: 20 Nov 2025
awesome-chemical-data
Curated list of known efforts in collecting and/or curating of chemical/materials data
awesome-lists chemistry data data-curation data-schema materials-science ontology
23 stars
0 forks
47 projects
Last updated: 28 Nov 2025
awesome-chemistry
A curated list of resources for chemistry, spanning theory, computation, laboratory tools, open datasets, cheminformatics, molecular modeling, and learning materials across organic, inorganic, physical, analytical, and materials chemistry.
awesome awesome-list awesome-lists chemistry organic-chemistry science
2 stars
0 forks
67 projects
Last updated: 05 Jan 2026