pdobsan / pynauty

Related projects: ⓘ

• RSMI-NE / RSMI-NE
  A Python package for efficient optimisation of real-space renormalization group transformations using Tensorflow.
  ☆27Updated 11 months ago
• ciaranm / glasgow-subgraph-solver
  A solver for subgraph isomorphism problems, based upon a series of papers by subsets of McCreesh, Prosser, and Trimble.
  ☆65Updated 2 months ago
• risilab / Autobahn
  Repository for Autobahn: Automorphism Based Graph Neural Networks
  ☆30Updated 2 years ago
• PACE-challenge / Treewidth
  List of Treewidth solvers, instances, and tools
  ☆32Updated last year
• vardigroup / TensorOrder
  A tool for weighted model counting through tensor network contraction
  ☆20Updated 2 years ago
• latte-int / latte
  LattE integrale, software for counting lattice points and integration over convex polytopes
  ☆39Updated 11 months ago
• fujiisoup / py3nj
  Wigner's 3J, 6J, 9J symbols for python
  ☆18Updated 2 months ago
• danieljsharpe / DISCOTRESS
  🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains
  ☆25Updated 3 years ago
• BrianCoyle / IsingBornMachine
  Implementation of Quantum Ising Born Machine
  ☆19Updated 4 years ago
• jaanli / hierarchical-variational-models-physics
  Hierarchical variational models for physics.
  ☆18Updated 4 years ago
• maxxxzdn / jax-geometric
  Implementation of various equivariant models in JAX
  ☆12Updated 5 months ago
• lin-lin / 2018Fall_275
  Mathematical Introduction to Electronic Structure Theory
  ☆40Updated 5 years ago
• li012589 / neuralCT
  Pytorch implement of the paper Neural Canonical Transformation with Symplectic Flows
  ☆29Updated 4 years ago
• mcbal / afem
  Implementation of approximate free-energy minimization in PyTorch
  ☆17Updated 2 years ago
• CompPhysVienna / MLSummerSchoolVienna2022
  ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"
  ☆34Updated 2 years ago
• NLESC-JCER / QMCTorch
  Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems
  ☆23Updated 8 months ago
• google-deepmind / flows_for_atomic_solids
  ☆48Updated last year
• freetdi / p17
  ☆10Updated 7 years ago
• y1xiaoc / fwdlap
  Forward mode laplacian implemented in JAX tracer
  ☆27Updated 2 months ago
• google-research / discs
  DISCS: The code base for the Benchmark for Discrete Sampling
  ☆44Updated 3 weeks ago
• 1QB-Information-Technologies / COOL
  Controlled Online Optimization Learning (COOL): Finding the Ground State of Spin Hamiltonians with Reinforcement Learning (arXiv:2003.000…
  ☆12Updated 4 years ago
• pele-python / mcpele
  Monte Carlo and parallel tempering routines built on the pele foundation
  ☆20Updated 7 months ago
• TunnelTechnologies / dmrg-exact
  ☆14Updated 5 years ago
• n-gao / pesnet
  Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…
  ☆27Updated 3 months ago
• gcucurull / jax-gcn
  Graph Convolutional Networks in JAX
  ☆30Updated 3 years ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆26Updated last year
• tomdbar / naqs-for-quantum-chemistry
  Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".
  ☆37Updated 2 years ago
• ramanathanlab / SciFM24-Tutorial
  Tutorial notebooks for SciFM24
  ☆11Updated 5 months ago
• jeffminlin / vmcnet
  Flexible, general-purpose VMC framework, built on JAX.
  ☆24Updated 3 months ago
• danieljtait / jax_xla_adventures
  Dive into Jax, Flax, XLA and C++
  ☆31Updated 4 years ago