Pinned Repositories
ase_md_example
IPS-Examples
mace-models
ZnDraw-MD
ZnDraw MD plugin using MACE-MP-0
IPSuite
Machine Learned Interatomic Potential Tools
MDSuite
A post-processing engine for particle simulations
ZnDraw
Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)
ZnFlow
A general purpose framework for building and running computational graphs.
ZnH5MD
ZnH5MD - High Performance Interface for H5MD Trajectories
ZnTrack
Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks.
PythonFZ's Repositories
PythonFZ/ZnDraw-MD
ZnDraw MD plugin using MACE-MP-0
PythonFZ/ase_md_example
PythonFZ/IPS-Examples
PythonFZ/mace-models
PythonFZ/chrispy
PythonFZ/2024_ZnTrack_Workshop
PythonFZ/aim-service-container
PythonFZ/AIMNet2
PythonFZ/AndroidAPSdocs
Documentation for AndroidAPS
PythonFZ/best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
PythonFZ/DataAsCodeArtifacts
PythonFZ/dud
A lightweight CLI tool for versioning data alongside source code and building data pipelines.
PythonFZ/dvc
🦉 Data Version Control | Git for Data & Models | ML Experiments Management
PythonFZ/dvc-example-get-started
Get started DVC project
PythonFZ/espresso
The ESPResSo package
PythonFZ/json-editor
JSON Schema Based Editor
PythonFZ/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
PythonFZ/MACE_foundations
PythonFZ/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
PythonFZ/mlflow-service-container
PythonFZ/PythonFZ
PythonFZ/SeleniumAction
PythonFZ/torch-dftd
pytorch implementation of dftd2 & dftd3
PythonFZ/Water_Normal
PythonFZ/znchat
Flask + Celery + SocketIO + React + Redis Demo
PythonFZ/zntrack-examples
Repository containing example Nodes for remote tests
PythonFZ/zntrack_aim
PythonFZ/ZnTrackExamples
PythonFZ/ZnTrackGradientBoostingConformers
PythonFZ/ZnTrackPerformanceTest
Repository to test the Performance of the ZnTrack Package