connorcoley

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MIT Chemical Engineering

Cambridge, MA

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ASCIT

Connor Coley's repositories

rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling

Language:Jupyter NotebookMIT148 19 28

rexgen_direct

Template-free prediction of organic reaction outcomes

Language:Jupyter NotebookGPL-3.0148 12 26

ochem_predict_nn

Language:PythonMIT107 9 14

scscore

Language:RoffMIT89 11 11

retrosim

Language:Jupyter NotebookMIT82 9 5

conv_qsar_fast

Language:PythonMIT49 4 7

retrotemp

Retrosynthesis by template prediction (a la Segler and Waller)

Language:PythonMIT29 3 3

chemprop

Message Passing Neural Networks for Molecule Property Prediction

Language:HTMLMIT6 20

ord-data

Official data repository for the Open Reaction Database

CC-BY-SA-4.04 10

rdkit

The official sources for the RDKit library

Language:C++NOASSERTION4 20

nips17-rexgen

Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network

Language:PythonMIT3 30

RMG-Py

Python version of the amazing Reaction Mechanism Generator (RMG).

Language:PythonMIT3 20

Frog2

2D/3D generation for small compounds

Language:CNOASSERTION2 20

learningpaperone

Language:Mathematica2 20

ord-editor

A web app for browsing, modifying, and creating submissions to the Open Reaction Database

Language:JavaScriptApache-2.02 10

ord-schema

Schema for the Open Reaction Database

Language:PythonApache-2.02 10

AtomMap

Language:OCamlLGPL-3.01 10

connorcoley.github.io

Personal academic website of Connor W. Coley

Language:HTMLMIT1 20

ord-submissions-test

CC-BY-SA-4.0010

robotevo

Generates Freedom EVOware scripts for the Freedom EVO universal pipetting robot from TECAN. It provides new layers of abstraction to offer a higher level programing model that allows a more direct programing of the steps needed in a typical biochemical/biological pipetting protocol like RNA extraction.

Language:PythonGPL-3.0010