3 results found Sort:

Graylab
DL4Proteins-notebooks Graylab
51
351
mit
6
Colab Notebooks covering deep learning tools for biomolecular structure prediction and design
rna-design deep-learning language-model protein-design neural-networks protein-docking small-molecules diffusion-models jupyter-notebooks graph-neural-networks protein-structure-prediction convolutional-neural-networks
Created 2024-09-04
93 commits to main branch, last one 3 days ago
ricalessandri
Martini3-small-molecules ricalessandri
11
57
apache-2.0
3
Martini 3 small-molecule database
database martini3 coarse-graining small-molecules molecular-dynamics
Created 2021-07-18
48 commits to main branch, last one 7 months ago
JosieHong
awesome-smallmol-massspec-ml JosieHong
7
27
mit
2
Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods
paper-list deep-learning small-molecules machine-learning mass-spectrometry analytical-chemistry
Created 2023-03-05
65 commits to main branch, last one 8 days ago