jla-gardner

load-atoms

⚛ download and manipulate atomistic datasets

carbon-data

A 22.9 million carbon atom dataset

nnp-pre-training

locache

💾 persist expensive function calls to disk

digital-experiments

🧪👨‍💻 keep track of your python experiments

how-to-validate-potentials

Some tutorial-style examples for validating machine-learned interatomic potentials

jla-gardner

Config files for my GitHub profile.

julia

The Julia Programming Language

mol-wasm

Molecular visualisation with web assembly

synthetic-data-experiments

synthetic-fine-tuning-experiments

Perform pre-training on synthetically labelled atomistic data.