itai-levin

chemoenzymatic-askcos

Base image providing dependencies for ASKCOS Docker images

noboi

Network Of Biosyntheses with Organismal Information

dl-chem-101

Example implementations of common machine learning projects in chemistry.

easie

EASIE - Exploration of chemical Analog Space, Implicitly and Explicitly

hybmind

Code used for developing and analyzing the results of the hybrid synthesis planner

20.440-project

Repo for 20.440 Final project

bkms-data

askcos-core

Python package for the ASKCOS platform for prediction of chemical reactivity

askcos-site

Web application for the ASKCOS platform for prediction of chemical reactivity

askcos-deploy

Deployment scripts and utilities for the ASKCOS web application

rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling

ASKCOS

subtiML