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

"drug-discovery" Awesome Lists

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

520 stars
54 forks
242 projects

Last updated: 07 Apr 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

469 stars
41 forks
373 projects

Last updated: 11 Apr 2025

awesome-small-molecule-ml

A curated list of resources for machine learning for small-molecule drug discovery

awesome awesome-list bioinformatics cheminformatics drug-discovery machine-learning

176 stars
27 forks
109 projects

Last updated: 07 May 2024

awesome-computational-biology

Awesome list of computational biology.

awesome awesome-list computational-biology drug-discovery drug-repurposing machine-learning

87 stars
4 forks
83 projects

Last updated: 07 Apr 2025

awesome-drug-discovery

A collection of drug discovery, classification and representation learning papers with deep learning.

deep-learning drug-discovery recommender-system

42 stars
11 forks
104 projects

Last updated: 13 Feb 2025

awesome-AI4Drug-papers

A collection of AI for Drug Design related papers and corresponding code sources (in progress).

awesome awesome-list drug-discovery molecule protein

12 stars
1 forks
41 projects

Last updated: 20 Feb 2024

awesome-molecular-modeling-and-drug-discovery

A curated list of awesome Molecular Modeling And Drug Discovery 🔥

alphafold alphafold2 bioinformatics drug-discovery molecular-docking molecular-evolution molecular-generation molecular-modeling protein-engineering protein-sequence

11 stars
0 forks
58 projects

Last updated: 07 Feb 2025

ontosight

Your AI Research Assistant

ai ant-design antd awesome-list chatbot drug-discovery drug-repurposing knowledge-graph llm molecular-biology

1 stars
0 forks
45 projects

Last updated: 24 Jan 2025

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markdown 22 gpt-4 22 library 22 awsome-list 22 object-detection 22 youtube 22 infosec 22 gpt-3 22 self-hosted 22 microsoft 22 kotlin 22 coding 22 audio 21 engineering 21 hacktoberfest-accepted 21 apple 21 knowledge-graph 21 awesomeness 21 visualization 21 projects 21 osint 21 data-analysis 21 startups 20 c 20 multimodal 20 serverless 20 cloud-computing 20 programming-language 20 roadmap 20 mathematics 20 game-engine 20 apps 20 slam 20 ui 20 segmentation 20 neural-networks 20 opendata 20 prompt-engineering 19 jobs 19 federated-learning 19 python3 19 mobile 19 azure 19 guidelines 19 graph 19 data-mining 19 3d 19 sql 19 awsome 19 website 19 llama 18 front-end 18 bugbounty 18 blogs 18 time-series 18 deeplearning 18 startup 18 blog 18 interview 18 raspberry-pi 18 chatbot 18 chinese 18 graphql 18 marketing 18 autonomous-driving 17 cli 17 nextjs 17 algorithm 17 representation-learning 17 decentralized 17 knowledge 17 generative-art 17 bash 17 code 17 language 17 containers 17 saas 17 networking 16 statistics 16 articles 16 cheatsheet 16 stable-diffusion 16 bert 16 webgl 16 data-structures 16 learning-resources 16 resource 16 foundation-models 16 machinelearning 16 image-processing 16 microservices 16 optimization 16 mlops 16 aigc 16 curated 16 devsecops 15 transformers 15 software-development 15 nerf 15 pentest 15 autonomous-vehicles 15 cloud-native 15 monitoring 15 technology 15 distributed-systems 15 reverse-engineering 15 big-data 15 ros 15 detection 15 graphics 15 analytics 15 recommender-system 14 speech-recognition 14 vuejs 14 react-components 14 readme 14 animation 14 multimodal-deep-learning 14 icons 14 mysql 14 performance 14 terminal 14 prompt 14 telegram 14 dart 14 mac 14 backend 14 selfhosted 14 data-engineering 14 open-data 13 swiftui 13 evm 13 deep-reinforcement-learning 13 node 13 finance 13 android-library 13 foss 13 microservice 13 pose-estimation 13 seo 13 mcp 13 dapp 13 gis 13 unicorns 13 guide 13 webassembly 13 dotnet-core 13 p2p 13 remote-sensing 13 malware-analysis 13 generative-adversarial-network 13 reasoning 12 font 12 oss 12 large-language-model 12 plugins 12 cms 12 point-cloud 12 pwa 12 gan 12 gaming 12 videos 12 vision-and-language 12 discord 12 image 12 beginner-friendly 12 search 12 search-engine 12 objective-c 12 storage 12 transfer-learning 12 wordpress 12 planning 12 podcast 12 language-model 12 ecommerce 12 graphics-programming 12 fuzzing 12 art 12 command-line 12 elasticsearch 12 android-development 12 laravel 12 svelte 12 rails 12 postgresql 12 open-science 11 speech-processing 11 ai-agents 11 sysadmin 11 design-systems 11 automl 11 application 11 wasm 11 unity3d 11 programming-languages 11 creative-coding 11 ui-design 11 question-answering 11 static-analysis 11 multimodal-learning 11 cvpr 11 databases 11 hacktoberfest2020 11 3d-graphics 11 webpack 11 network 11 quantum-computing 11 bookmarks 11 sustainability 11 free-software 11 js 11 haskell 11 text-to-image 11 course 11 frameworks 11 leetcode 11 front-end-development 11 vscode 11 anomaly-detection 11 ansible 11 hosting 10 climate-change 10 threat-intelligence 10 datascience 10 cv 10 writing 10 malware 10 management 10 ctf 10 interview-questions 10 diffusion 10 vr 10 code-generation 10 medical-imaging 10 docs 10 hacktoberfest2021 10 geospatial 10 golang-library 10 guides 10 gpu 10 time-series-analysis 10 chain-of-thought 10 movies 10 authentication 10 operating-system 10 chatgpt-api 10 image-generation 10 benchmark 10 unsupervised-learning 10 hacking-tools 10 arduino 10 blockchain-technology 10 cross-platform 10 privacy-tools 10 reading-list 10 model-compression 10 students 10 edge-computing 10 indonesia 10 semantic-web 10 rag 10 text-mining 10 rest-api 10 infrastructure-as-code 10 yolo 10 npm 10 bot 10 interpretability 10 deepseek 10 cuda 10 explainable-ai 10 developer 10 gpts 10 news 9 sentiment-analysis 9 websites 9 unix 9 electronics 9 machine-learning-algorithms 9 erlang 9 arkit 9 cyber-security 9 system-design 9 quantization 9 microservices-architecture 9 flutter-apps 9 3d-reconstruction 9 article 9 fairness 9 applications 9 book 9 math 9 email 9 agents 9 android-app 9 bug-bounty 9 semantic-segmentation 9 swift-library 9 static-site-generator 9 few-shot-learning 9 simulation 9 conference 9 flask 9 ros2 9 webcomponents 9 trading 9 fpga 9 leadership 9 exploit 9 webapp 9 video-generation 9 solana 9 ionic 9 reference 9 neuroscience 9 anime 9 social-network 9 augmented-reality 9 ux 9 classification 9 google 9 jupyter-notebook 9 android-application 9 ide 9 knowledge-base 9 reddit 9 in-context-learning 9 sre 9 cicd 9 cncf 8 dfir 8 material-design 8 distributed-database 8 speech 8 robot 8 interview-preparation 8 neural-architecture-search 8 physics 8 model 8 bots 8 chrome 8 software-architecture 8 fintech 8 minecraft 8 k8s 8 multimodal-large-language-models 8