Supercharge biomolecular research with moleculib, a Python library for effortless data integration with Flax and JAX. moleculib provides modular and easy-to-use structures, including Flax struct data classes and methods, a suite of data transforms, and streamlined dataset functions.
Install most recent version
pip install git+https://github.com/molecularmachines/moleculib
Alternatively,
pip install moleculib
moleculib provides the data scaffolding for
- molecular type
- data transforms