small-molecules topic
List
small-molecules repositories
MIMOSA
29
Stars
5
Forks
29
Watchers
MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization (AAAI 21')
Martini3-small-molecules
54
Stars
10
Forks
Watchers
Martini 3 small-molecule database
annapurna
19
Stars
5
Forks
Watchers
AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.
DiffDock
24
Stars
6
Forks
Watchers
Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
awesome-mass-spectrometry-ml
17
Stars
5
Forks
Watchers
Awesome papers and codes list of analytical chemistry-related deep learning methods