benb111/awesome-small-molecule-ml
A curated list of resources for machine learning for small-molecule drug discovery
This is a curated collection of resources for scientists and researchers in drug discovery, specifically focused on small molecules. It compiles research papers, datasets, software tools, and blogs to help you leverage machine learning techniques. It serves as a starting point for anyone looking to apply advanced computational methods to accelerate the discovery of new drug candidates.
238 stars. No commits in the last 6 months.
Use this if you are a medicinal chemist, computational chemist, or drug discovery scientist looking for relevant machine learning methods and resources for small molecule research.
Not ideal if you are looking for resources on biologics, materials science, or general machine learning applications outside of drug discovery.
Stars
238
Forks
30
Language
—
License
CC0-1.0
Category
Last pushed
Nov 25, 2023
Commits (30d)
0
Get this data via API
curl "https://pt-edge.onrender.com/api/v1/quality/ml-frameworks/benb111/awesome-small-molecule-ml"
Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.
Compare
Higher-rated alternatives
josiehong/awesome-smallmol-massspec-ml
Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods
GoekeLab/awesome-nanopore
A curated list of awesome nanopore analysis tools.
kjappelbaum/awesome-chemistry-datasets
overview of datasets for ML in chemistry
inoue0426/awesome-computational-biology
Awesome list of computational biology.
HongxinXiang/awesome-ai-bioinformatics
A curated list of awesome AI and Bioinformatics.