igashov/RetroBridge
RetroBridge: Markov Bridge Model for Retrosynthesis Planning
This helps synthetic chemists and drug discovery scientists by suggesting reactants needed to create a desired product molecule. You provide the target molecule's structure, and it generates a list of potential precursor molecules. This allows researchers to quickly explore synthesis pathways and prioritize experimental work.
No commits in the last 6 months.
Use this if you need to determine plausible starting materials for a specific chemical compound you want to synthesize.
Not ideal if you are looking for a tool that plans multi-step synthesis routes or predicts reaction conditions.
Stars
34
Forks
2
Language
Python
License
—
Category
Last pushed
Mar 26, 2024
Commits (30d)
0
Get this data via API
curl "https://pt-edge.onrender.com/api/v1/quality/ml-frameworks/igashov/RetroBridge"
Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.
Higher-rated alternatives
deepmodeling/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Acellera/moleculekit
MoleculeKit: Your favorite molecule manipulation kit
mir-group/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
CederGroupHub/chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling...