A-Thakkar

Research Scientist @ IBMResearch.

Pinned Repositories

A-Thakkar.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
Language:JavaScript00
aizynthfinder
A tool for retrosynthetic planning
Language:Python0 0 00
devops-capstone-project
Language:Python0 1 100
wtecc-CICD_PracticeCode
CICD_PracticeCode
Language:Python0 0 00
UGM_2021
Materials from the (virtual) 2021 RDKit UGM
Language:Jupyter Notebook38 6 017
CASP-and-dataset-performance
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
Language:Jupyter Notebook45 12 215
RAscore
Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
Language:Python79 7 930
RingBreaker
Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring systems. The code does not support full tree search and is intended as supplementary material to the published paper.
Language:Python11 7 15
disconnection_aware_retrosynthesis
Language:Python30 5 02
rxn-chemutils
Chemistry-related Python utilities used in the RXN universe
Language:Python23 5 32

A-Thakkar/A-Thakkar.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
Language:JavaScript00
A-Thakkar/aizynthfinder
A tool for retrosynthetic planning
Language:Python0 0 00
A-Thakkar/devops-capstone-project
Language:Python0 1 100
A-Thakkar/wtecc-CICD_PracticeCode
CICD_PracticeCode
Language:Python0 0 00