Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
"molecular-dynamics" 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
1,039 stars
200 forks
149 projects
Last updated: 29 May 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
407 stars
38 forks
297 projects
Last updated: 05 Dec 2024
Awesome-Graph-Research-ICML2024
All graph/GNN papers accepted at the International Conference on Machine Learning (ICML) 2024.
gnn graph graph-neural-network graph-neural-networks graph-theory icml icml-2024 molecular-dynamics
168 stars
10 forks
295 projects
Last updated: 16 Nov 2024
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
117 stars
12 forks
242 projects
Last updated: 30 Oct 2024