5 results found Sort:

kaist-amsg
LocalRetro kaist-amsg
25
85
unknown
7
Retrosynthesis prediction for organic molecules with LocalRetro
retrosynthesis machine-learning
Created 2021-05-07
34 commits to main branch, last one 6 months ago
wangyu-sd
RetroExplainer wangyu-sd
10
64
mit
1
RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative interpretability
retrosynthesis
Created 2022-10-01
98 commits to main branch, last one about a year ago
vsomnath
graphretro vsomnath
14
46
mit
3
Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
geometry molecules neurips-2021 retrosynthesis machine-learning graph-neural-network
Created 2021-12-11
15 commits to main branch, last one about a year ago
reymond-group
CASP-and-dataset-performance reymond-group
15
45
mit
12
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
casp datasets synthesis retrosynthesis synthesis-routes organic-chemistry computer-aided-drug-design
Created 2019-09-24
14 commits to master branch, last one 3 years ago
igashov
RetroBridge igashov
2
27
other
2
RetroBridge: Markov Bridge Model for Retrosynthesis Planning
chemistry drug-design markov-chain retrosynthesis generative-model machine-learning
Created 2024-02-09
10 commits to main branch, last one 8 months ago