An open API service indexing awesome lists of open source software.

"computational-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

1,220 stars
220 forks
149 projects

Last updated: 28 Apr 2025

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

525 stars
56 forks
242 projects

Last updated: 08 Jun 2025

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

498 stars
44 forks
381 projects

Last updated: 24 May 2025

top-pharma50

Top open source software from the top 50 pharmaceutical companies

ai awesome awesome-list awesome-lists bioinformatics biology-ai computational-biology computational-chemistry ebiology life-sciences

61 stars
3 forks
201 projects

Last updated: 16 Apr 2025

top-life-sciences

Top Life Sciences open-source software

ai awesome awesome-list awesome-lists bioinformatics biology biology-ai computational-biology computational-chemistry ebiology

10 stars
2 forks
201 projects

Last updated: 30 Mar 2025

top-pharma-fr

Top open source software from French pharmaceutical companies

ai awesome awesome-list awesome-lists bioinformatics biology-ai computational-biology computational-chemistry ebiology france

3 stars
0 forks
83 projects

Last updated: 29 Apr 2025

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self-supervised-learning 23 django 23 embedded 23 best-practices 22 gpt-4 22 awsome-list 22 gpt-3 22 serverless 22 game-engine 22 infosec 22 mobile 22 markdown 22 osint 22 microsoft 22 visualization 21 coding 21 audio 21 kotlin 21 engineering 21 neural-networks 21 python3 21 hacktoberfest-accepted 21 slam 21 awesomeness 21 self-hosted 21 apple 21 data-analysis 21 ui 21 multimodal 21 knowledge-graph 21 cloud-computing 20 youtube 20 jobs 20 roadmap 20 opendata 20 startups 20 website 20 guidelines 20 data-mining 20 apps 20 segmentation 20 programming-language 20 mathematics 20 azure 19 mcp 19 interview 19 saas 19 c 19 graph 19 sql 19 deeplearning 19 prompt-engineering 19 raspberry-pi 19 awsome 19 3d 19 federated-learning 19 chinese 19 machinelearning 18 bash 18 bugbounty 18 graphql 18 llama 18 chatbot 18 blog 18 front-end 18 blogs 18 js 18 cli 18 marketing 18 time-series 18 stable-diffusion 17 microservices 17 representation-learning 17 decentralized 17 knowledge 17 networking 17 containers 17 code 17 language 17 algorithm 17 startup 17 mlops 17 foundation-models 17 learning-resources 17 autonomous-driving 17 nextjs 17 generative-art 17 aigc 17 curated 17 optimization 17 statistics 17 image-processing 16 bert 16 cheatsheet 16 analytics 16 articles 16 ros 16 data-structures 16 webgl 16 technology 15 software-development 15 nerf 15 seo 15 agents 15 devsecops 15 autonomous-vehicles 15 graphics 15 big-data 15 cloud-native 15 monitoring 15 detection 15 distributed-systems 15 readme 15 transformers 15 reverse-engineering 15 resource 15 pentest 15 performance 14 prompt 14 data-engineering 14 mysql 14 node 14 vuejs 14 react-components 14 dart 14 selfhosted 14 android-library 14 multimodal-deep-learning 14 icons 14 p2p 14 large-language-model 14 telegram 14 android-development 14 animation 14 backend 14 mac 14 ai-agents 14 webassembly 14 recommender-system 14 terminal 14 finance 13 speech-recognition 13 remote-sensing 13 elasticsearch 13 pose-estimation 13 dapp 13 art 13 microservice 13 search 13 deep-reinforcement-learning 13 laravel 13 guide 13 evm 13 gis 13 open-data 13 command-line 13 foss 13 swiftui 13 reasoning 13 malware-analysis 13 podcast 13 generative-adversarial-network 13 plugins 13 unicorns 13 dotnet-core 13 font 12 cms 12 rails 12 fuzzing 12 gaming 12 text-to-image 12 svelte 12 es6 12 pwa 12 wasm 12 leetcode 12 gan 12 search-engine 12 anomaly-detection 12 postgresql 12 static-analysis 12 transfer-learning 12 videos 12 storage 12 quantum-computing 12 discord 12 language-model 12 wordpress 12 oss 12 graphics-programming 12 point-cloud 12 image 12 frameworks 12 ecommerce 12 beginner-friendly 11 course 11 code-generation 11 unity3d 11 automl 11 sysadmin 11 deepseek 11 npm 11 network 11 databases 11 cuda 11 multimodal-learning 11 rag 11 planning 11 cross-platform 11 open-science 11 webpack 11 rest-api 11 design-systems 11 bookmarks 11 cvpr 11 programming-languages 11 free-software 11 application 11 3d-graphics 11 objective-c 11 hacktoberfest2020 11 ui-design 11 vision-and-language 11 question-answering 11 webapp 11 ctf 11 creative-coding 11 yolo 11 vscode 11 sustainability 11 front-end-development 11 operating-system 10 vlm 10 chatgpt-api 10 solana 10 model-compression 10 authentication 10 golang-library 10 machine-learning-algorithms 10 edge-computing 10 multimodal-large-language-models 10 android-app 10 hacking-tools 10 flutter-apps 10 semantic-web 10 cv 10 privacy-tools 10 climate-change 10 hacktoberfest2021 10 unsupervised-learning 10 ansible 10 image-generation 10 guides 10 threat-intelligence 10 management 10 datascience 10 vr 10 reading-list 10 android-application 10 malware 10 webdevelopment 10 hosting 10 time-series-analysis 10 gpu 10 medical-imaging 10 docs 10 interview-questions 10 speech-processing 10 interpretability 10 blockchain-technology 10 geospatial 10 students 10 benchmark 10 bot 10 arduino 10 gpts 10 text-mining 10 fpga 10 movies 10 writing 10 indonesia 10 diffusion 10 mcp-server 10 developer 10 haskell 10 exploit 9 erlang 9 generative-model 9 awesome-ai 9 profile 9 podcasts 9 flask 9 python-library 9 trading 9 math 9 knowledge-base 9 ux 9 simulation 9 unix 9 ionic 9 linux-desktop 9 anime 9 vision-language-model 9 flutter-examples 9 augmented-reality 9 websites 9 conference 9 video-generation 9 email 9 3d-reconstruction 9 functional-programming 9 book 9 semantic-segmentation 9 applications 9 utilities 9 shell 9 neuroscience 9 microservices-architecture 9 reddit 9 chain-of-thought 9 quantization 9 system-design 9 webcomponents 9 explainable-ai 9 infrastructure-as-code 9 ide 9 elixir 9 in-context-learning 9 classification 9 sentiment-analysis 9 leadership 9 swift-library 9 material-design 9 fairness 9 article 9 mobile-development 9 cyber-security 9 ros2 9 arkit 9 sre 9 static-site-generator 9 few-shot-learning 9 social-network 9 news 9 chrome 9 reference 9 bug-bounty 9