Alternatives and similar repositories for prc_gnn_tutorial

Users that are interested in prc_gnn_tutorial are comparing it to the libraries listed below

• patvarilly / periodic_kdtree
  SciPy-based kd-tree with periodic boundary conditions
  ☆37Updated 9 years ago
• rkurchin / Kurchin_CV
  LaTeX/Python code for maintaining my CV; integrates with website code (see rkurchin.github.io repo)
  ☆15Updated 3 years ago
• apax-hub / apax
  A flexible and performant framework for training machine learning potentials.
  ☆28Updated this week
• CederGroupHub / sparse-lm
  Sparse Linear Regression Models
  ☆19Updated this week
• PinwenGuan / JAX-TherMo
  A demo code for implementation of differentiable thermodynamic modeling in JAX.
  ☆10Updated 3 years ago
• pyiron / executorlib
  Up-scale python functions for high performance computing (HPC)
  ☆43Updated this week
• Garden-AI / garden
  ☆33Updated last week
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆83Updated 3 months ago
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆34Updated 2 years ago
• zincware / IPSuite
  Machine Learned Interatomic Potential Tools
  ☆24Updated this week
• argonne-lcf / balsam
  High throughput workflows and automation for HPC
  ☆82Updated 2 months ago
• epfl-theos / koopmans
  Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
  ☆16Updated 2 weeks ago
• jkitchin / s24-06642
  Spring 2024 - Data Science and Machine Learning in Chemical Engineering
  ☆12Updated last year
• ExaWorks / psij-python
  ☆30Updated last week
• CrossFacilityWorkflows / DOE-HPC-workflow-training
  Repo for a DOE HPC workflow training event
  ☆13Updated 2 years ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• materials-data-facility / publishing-battery-data
  Illustrating how to publish battery data
  ☆13Updated 3 months ago
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆80Updated this week
• sirmarcel / glp
  tools for graph-based machine-learning potentials in jax
  ☆25Updated last year
• materialsproject / pyrho
  ☆40Updated 2 weeks ago
• gabor1 / chemrev-gpr
  Notebooks accompanying the paper on GPR in materials and molecules in Chemical Reviews 2020
  ☆12Updated 4 years ago
• VlachosGroup / renview
  The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…
  ☆22Updated last year
• birnstiel / erc_template
  ERC Proposal template (StG, CoG, AdG)
  ☆19Updated 3 years ago
• wcwitt / symmetrix
  ☆21Updated last week
• BlauGroup / mrnet
  Mr. Network is a python reaction-network for molecular systems
  ☆11Updated 3 years ago
• jacksund / simmate
  Simmate is full-stack framework for chemistry research.
  ☆35Updated last week
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆26Updated 3 months ago
• blokhin / materials-informatics-tutorial
  A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data
  ☆16Updated 10 months ago
• lantunes / skipatom
  Distributed representations of atoms, inspired by the Skip-gram model
  ☆26Updated 2 years ago
• lab-cosmo / atomistic-cookbook
  A collection of simulation recipes for the atomic-scale modeling of materials and molecules
  ☆28Updated this week