Martin Uhrin

Library for machine learning on physical tensors

A Golang Matrix framework.

REAX: A simple training framework for JAX-based projects

Python tools and utilities

Codebase for MRS (Fall, 2021) e3nn tutorial

No description provided.

Moment Invariants Local Atomic Descriptor

A python event loop with persistence support

This repository provides course resources for the 1st edition of the DIADEM Summer School.

Equivariant machine learning interatomic potentials in JAX.

Repository of tutorials given at the School on Machine Learning for Molecules and Materials Research (ML4MMR), held in Zadar, Croatia (June 9, 2025 - June 13, 2025).

Object storage with versioning made simple

A way to treat your python objects like files on disk

Equivariant machine learning library for learning from electronic structures

MincePy plugins for common scientific data types

File based MongoDB server with pymongo compatible API

REAX + Hydra. A very user-friendly template for ML experimentation. ⚡🔥⚡

Flax is a neural network library for JAX that is designed for flexibility.

pyilt2 for accessing the ILThermo v2.0 database by Frank Roemer

Professional website of Martin Uhrin

Differentiable, Hardware Accelerated, Molecular Dynamics

Distance-based Unsupervised Learning in pYthon

Library that adds functions on top of e3nn to deal with expanding and manipulating signals in a spherical harmonic basis

A python messaging library for RPC, task queues and broadcasts

Small library for mocking pymongo collection objects for testing purposes

A modular framework for neural networks with Euclidean symmetry

A free, multilingual, open source theme for Ghost

Pipeline library for doing high throughput computation on a single data type

Accompaniment repository to the MILAD paper

Docker image with demonstration software stack for AiiDAlab