Glorius Group

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1. PAYN PAYN Public

   PAYN: Positivity is All You Need: Framework for augmentation of reliable negatives from biased organic datasets.

   Python 9 2

2. gpuma gpuma Public

   Minimalistic geometry optimizer for molecules using the UMA MLIP models. Allows for single structure and batch optimization, both sequential and in parallel batches on GPUs.

   Python 2 1

3. EasyChemML EasyChemML Public

   Forked from mkueh/EasyChemML

   Python 2

4. mlgroup_website mlgroup_website Public

   Repo for the Group Website https://gloriusgroup.github.io/mlgroup_website/

   TypeScript 1

5. InvEnT InvEnT Public

   Forked from le-schlo/InvEnT

   Inverse photocatalyst design

   Python

6. pyGecko pyGecko Public

   Forked from FelixKatz77/pyGecko

   pyGecko is an open-access python libary for the parsing, processing and analysis of GC/MS and GC/FID raw data.

   Python