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computer-aided-synthesis-planning

Here are 2 public repositories matching this topic...

PaccMann / paccmann_sarscov2

Code for paper on automation of discovery and synthesis of targeted molecules: https://iopscience.iop.org/article/10.1088/2632-2153/abe808

deep-learning drug-discovery sars-cov-2 de-novo-drug-design proteochemometrics computer-aided-synthesis-planning accelerated-discovery

Updated Sep 18, 2021

coleygroup / desp

Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)

machine-learning deep-learning chemistry drug-discovery search-algorithm computer-aided-synthesis-planning

Updated Jan 23, 2025
Python

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