Kevin M Jablonka's repositories
awesome-chemistry-datasets
overview of datasets for ML in chemistry
mofdscribe
An ecosystem for digital reticular chemistry
mofchecker
Basic sanity checks for MOFs.
element-coder
Encode chemical elements numerically and decode numerical representations of elements.
oximachinerunner
An easy API for using oximachine.
oximachine_featurizer
featurizing MOFs for the oximachine
LLM4ScientificDiscovery
Call for participation in the impact of LLM for scientific discovery
matchem-eval
A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications
awesome-learning-digital-chemistry
a curated list of ressources for everyone interested in learning about digital chemistry
colorjeopardy
Dash app that allows to pick colors.
cookiecutter-snekpack
A cookiecutter package for an enlightened python package
experimentaldesigner
small web app to make it easier for experimentalists to generate experimental designs. Powered by syncofinder and pydoe.
metadata_extractors_registry
A place to develop and discuss the MaRDA Extractors WG registry.
prefect-slurm
Integrate prefect with slurm workload manager for HPC environments
rd6006
RD6006 Python module
regression-transformer
Regression Transformer (2023; Nature Machine Intelligence)