Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
12 "chemistry" Awesome Lists
awesome-quantum-software
Curated list of open-source quantum software projects.
compilers quantum-algorithms quantum-annealing quantum-assembly quantum-chemistry quantum-circuit-simulator quantum-circuits quantum-compiler quantum-computer quantum-computer-simulator
1,349 stars
292 forks
237 projects
Last updated: 03 May 2024
awesome-open-geoscience
Curated from repositories that make our lives as geoscientists, hackers and data wranglers easier or just more awesome
awesome awesome-list cheatsheet geochemistry geology geophysics geoscience geosciences geospatial geostatistics
1,341 stars
451 forks
147 projects
Last updated: 02 May 2024
awesome-python-chemistry
A curated list of Python packages related to chemistry
atomistic-simulations chemistry computational-chemistry molecular-dynamics python-chemistry quantum-chemistry simulation
1,028 stars
199 forks
141 projects
Last updated: 07 May 2024
awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
awesome awesome-list bioinformatics cheminformatics chemistry
641 stars
107 forks
108 projects
Last updated: 02 May 2024
awesome-pretrain-on-molecules
[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
awesome chemical-language-models computational-chemistry drug-discovery drug-discovery-and-development finetuning gnns graph-representation-learning molecular-representation-learning molecule
452 stars
45 forks
242 projects
Last updated: 04 May 2024
awesome-materials-informatics
Curated list of known efforts in materials informatics = modern materials science
ab-initio atomistic-simulations awesome awesome-list chemistry computational-materials computational-materials-engineering crystal-structure crystallography data-science
341 stars
80 forks
118 projects
Last updated: 27 Apr 2024
best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
ai4science atomistic-machine-learning awesome-list best-of-list computational-chemistry computational-materials-science condensed-matter density-functional-theory drug-discovery electronic-structure
247 stars
19 forks
274 projects
Last updated: 06 May 2024
awesome-chemistry-datasets
overview of datasets for ML in chemistry
ai awesome chemistry data hacktoberfest machine-learning molecules
199 stars
24 forks
81 projects
Last updated: 23 Apr 2024
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
56 stars
9 forks
173 projects
Last updated: 21 Apr 2024
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
19 stars
1 forks
47 projects
Last updated: 02 Apr 2024
awesome-ai4chem
Awesome AI for chemistry papers
ai-for-science chemistry deep-learning machine-learning neural-network reinforcement-learning
15 stars
1 forks
85 projects
Last updated: 29 Apr 2024
awesome-mass-spectrometry-ml
Awesome papers and codes list of analytical chemistry-related deep learning methods
analytical-chemistry deep-learning paper-list small-molecules
7 stars
2 forks
79 projects
Last updated: 01 May 2024