Repositories list

• paper_nsflows

  Public
  Companion repository for the paper "Generative Nested Sampling of Atomistic Thermodynamic Landscapes" aka "NSFlows"

  Python

  •

  MIT License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Sep 18, 2026Sep 18, 2026

• paper_genaimmd

  Public
  Simulation, analysis, training and plotting scripts supplementary to the GenAIMMD paper

  00 forks•00 stars•00 issues•00 pull requests•Updated Sep 17, 2026Sep 17, 2026

• Boltzmannator

  Public
  JavaScript

  •

  MIT License

  •11 fork•1313 stars•00 issues•00 pull requests•Updated Sep 11, 2026Sep 11, 2026

• paper_AAA-TPS

  Public
  Companion repository for the paper "An Always Accepting Algorithm for Transition Path Sampling" aka "AAA-TPS"

  Jupyter Notebook

  •

  MIT License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Mar 7, 2026Mar 7, 2026

• n2p2

  Public
  n2p2 - A Neural Network Potential Package

  C++

  •

  GNU General Public License v3.0

  •9595 forks•244244 stars•6767 issues•1414 pull requests•Updated Mar 17, 2025Mar 17, 2025

• paper_boltzmann2boltzmann

  Public
  Companion repository for the paper "Learning mappings between equilibrium states of liquid systems using Normalizing Flows" aka "Boltzmann 2 Boltzmann"

  Jupyter Notebook

  •

  MIT License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Feb 13, 2025Feb 13, 2025

• paper_ShootingPoint_MCMC

  Public
  Jupyter Notebook

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jan 28, 2025Jan 28, 2025

• paper_NF_for_rare_events

  Public
  Python

  •

  MIT License

  •00 forks•33 stars•00 issues•00 pull requests•Updated Dec 9, 2022Dec 9, 2022

• MLSummerSchoolVienna2022

  Public
  ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"

  Jupyter Notebook

  •2626 forks•4040 stars•00 issues•00 pull requests•Updated Jul 22, 2022Jul 22, 2022