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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

542 stars
58 forks
242 projects

Last updated: 13 Aug 2026

awesome-ai4molconformation-md

List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) using generative artificial intelligence and deep learning

active-learning amber enzymes flow force-fields gan gnns gromacs llm lstm-neural-networks

307 stars
27 forks
885 projects

Last updated: 20 Aug 2026

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bioinformatics 30 ruby 30 architecture 30 mobile 29 dotnet 29 pentesting 29 reverse-engineering 29 microsoft 28 object-detection 28 llm-agents 28 video-generation 28 knowledge-graph 28 data-analysis 28 smart-contracts 28 image-generation 28 csharp 28 best-practices 28 openclaw 27 angular 27 plugins 27 slam 27 science 27 foundation-models 27 osint 27 tensorflow 27 music 27 cryptography 27 links 27 windows 27 pytorch 27 self-supervised-learning 26 ui 26 nextjs 26 mcp-server 26 library 26 markdown 26 jobs 26 serverless 26 learning-resources 25 3d 25 data-mining 25 time-series 25 kotlin 25 django 25 infosec 25 git 25 mathematics 24 roadmap 24 neural-networks 24 codex 24 autonomous-agents 24 chatbot 24 chinese 24 computer-graphics 24 langchain 24 segmentation 24 seo 24 embedded 24 deepseek 24 sql 23 engineering 23 interview 23 mcp-servers 23 coding 23 autonomous-driving 23 devsecops 23 vibe-coding 23 audio 23 unity 23 awsome-list 23 apple 23 awesomeness 23 startups 23 cloud-computing 23 game-engine 23 blog 23 reasoning 23 networking 22 startup 22 federated-learning 22 finance 22 benchmark 22 programming-language 22 python3 22 website 22 c 22 llama 22 decentralized 22 text-to-image 22 software-development 22 hacktoberfest-accepted 21 apps 21 deeplearning 21 embodied-ai 21 monitoring 21 visualization 21 claude-skills 21 r 21 blogs 21 gpt-3 21 cursor 21 awsome 21 graphql 21 transformers 20 ai-coding 20 azure 20 terminal 20 youtube 20 optimization 20 curated 20 gis 20 js 20 graph 20 opendata 20 gpt-4 19 ai-safety 19 raspberry-pi 19 cloud-native 19 stable-diffusion 19 representation-learning 19 big-data 19 multi-agent 19 backend 19 speech-recognition 19 statistics 19 machinelearning 19 telegram 19 generative-art 18 prompt 18 aigc 18 bugbounty 18 laravel 18 front-end 18 vlm 18 code 18 swiftui 18 guidelines 18 data-structures 18 analytics 18 remote-sensing 18 foss 17 data-engineering 17 webgl 17 animation 17 malware-analysis 17 command-line 17 nerf 17 large-language-model 17 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node 13 cicd 12 webapp 12 cuda 12 lua 12 authentication 12 search-engine 12 guide 12 edge-computing 12 evaluation 12 rails 12 reading-list 12 article 12 static-site-generator 12 chain-of-thought 12 application 12 leadership 12 llm-security 12 prompt-injection 12 neuroscience 12 postgresql 12 xai 12 fuzzing 12 test-automation 12 image 12 email 12 vulnerabilities 12 social-network 12 ros2 12 machine-learning-algorithms 12 memory 12 elasticsearch 12 fintech 12 vision-and-language 12 cross-platform 12 social-media 12 es6 12 infrastructure-as-code 12 graphics-programming 12 compliance 12 creative-coding 12 question-answering 12 privacy-tools 12 cyber-security 12 web-design 12 ux 12 gpu 12 ai-development 11 elixir 11 hacking-tools 11 webpack 11 retrieval-augmented-generation 11 free-tutorials 11 math 11 physics 11 climate-change 11 movies 11 llm-agent 11 podcasts 11 vr 11 swift-library 11 course 11