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Jackson Burns

Username    JacksonBurns
Date joined   Joined

20 projects

aimsim-core

Last released

Core AIMSim molecular featurization and comparison utilities.

aimsim

Last released

Python command line and GUI tool to analyze molecular similarity.

py2opsin

Last released

Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature

fastprop

Last released

Fast Molecular Property Prediction with mordredcommunity

chemprop

Last released

Molecular Property Prediction with Message Passing Neural Networks

fastlogfileparser

Last released

Parse computational chemistry log files, but fast-ly.

astartes

Last released

Train:Test Algorithmic Sampling for Molecules and Arbitrary Arrays

mordredcommunity

Last released

Community-Maintained Version of mordred

tristate20

Last released

TRISTATE20 Dataset

py2sambvca

Last released

Simple thin client to interface python scripts with SambVca catalytic pocket Fortran calculator.

dgsolvdb

Last released

Free energy of solvation database wrapper - no dependencies.

rmgdatabase

Last released

The Amazing Database of chemical information used in Reaction Mechanism Generator

molSim

Last released

This package has been renamed to AIMSim, please use `pip install aimsim`

reactionmechanismgenerator

Last released

Reaction Mechanism Generator

presentable

Last released

Providing a Prettier Confusion Matrix for your Command Line

CrowHTE

Last released

Python GUI to enable High Throughput Experimentation.

py2sterimol

Last released

Thin client Python interface to the original Fortran implementation of Sterimol parameters.

ralf

Last released

Rotation Angle Limit Finder

simsplitchem

Last released

Simplifying ML Splitting with Chemicals

SimplifySplittingChemicals

Last released

Simplifying ML Splitting with Chemicals

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