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
• CederGroupHub / sparse-lm
  Sparse Linear Regression Models
  ☆19Updated last week
• pyiron / executorlib
  Up-scale python functions for high-performance computing (HPC)
  ☆48Updated this week
• rkurchin / Kurchin_CV
  LaTeX/Python code for maintaining my CV; integrates with website code (see rkurchin.github.io repo)
  ☆15Updated 3 years ago
• birnstiel / erc_template
  ERC Proposal template (StG, CoG, AdG)
  ☆19Updated last week
• whitead / skunk
  Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.
  ☆85Updated last month
• argonne-lcf / balsam
  High throughput workflows and automation for HPC
  ☆82Updated 2 months ago
• PinwenGuan / JAX-TherMo
  A demo code for implementation of differentiable thermodynamic modeling in JAX.
  ☆10Updated 4 years ago
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆84Updated 4 months ago
• jacksund / simmate
  Simmate is a full-stack framework for chemistry research.
  ☆37Updated this week
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆31Updated last week
• ExaWorks / psij-python
  ☆30Updated 3 weeks ago
• materialsproject / pyrho
  ☆40Updated last week
• jkitchin / s24-06642
  Spring 2024 - Data Science and Machine Learning in Chemical Engineering
  ☆12Updated last year
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆34Updated 2 years ago
• glotzerlab / signac-flow
  Workflow management for signac-managed data spaces.
  ☆48Updated last month
• henryiii / compclass
  A class over Computational Physics in Jupyter
  ☆38Updated 5 years ago
• epfl-theos / koopmans
  Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
  ☆17Updated 3 weeks ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• pele-python / pele
  Python energy landscape explorer
  ☆99Updated 6 years ago
• Garden-AI / garden
  ☆35Updated 2 weeks ago
• LaurentRDC / crystals
  Data structures, algorithms, and parsing for crystallography
  ☆51Updated 8 months ago
• lcmd-epfl / volcanic
  A program to automatically generate volcano plots for catalysis.
  ☆15Updated 9 months ago
• apax-hub / apax
  A flexible and performant framework for training machine learning potentials.
  ☆30Updated this week
• rekumar / labgraph
  A graph database tool for experimental data in materials science and chemistry.
  ☆19Updated 8 months ago
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆21Updated 4 years ago
• amepproject / amep
  The Active Matter Evaluation Package (AMEP) - a Python library for the analysis of particle-based and continuum simulation data of soft a…
  ☆21Updated 3 weeks ago
• spglib / moyo
  Library for Crystal Symmetry in Rust
  ☆56Updated this week
• hackingmaterials / rocketsled
  plug-n-play black box optimizer for high-throughput computing
  ☆51Updated 2 years ago
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆83Updated this week