Alternatives and similar repositories for wqmc

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

• n-gao / pesnet
  Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…
  ☆31Updated last year
• mdsunivie / deeperwin
  DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…
  ☆64Updated 8 months ago
• LarsHoldijk / SOCTransitionPaths
  ☆34Updated 3 years ago
• balintmate / boltzmann-interpolations
  ☆10Updated 2 years ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆36Updated 2 years ago
• gregversteeg / esh_dynamics
  Hamiltonian Dynamics with Non-Newtonian Momentum for Rapid Sampling
  ☆36Updated 4 years ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆54Updated 9 months ago
• google-deepmind / flows_for_atomic_solids
  ☆53Updated 3 years ago
• dimitra-maoutsa / odes_for_sdes
  Deterministic particle dynamics for simulating Fokker-Planck probability flows
  ☆26Updated 2 years ago
• lollcat / se3-augmented-coupling-flows
  SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.
  ☆24Updated last year
• y1xiaoc / fwdlap
  Forward mode laplacian implemented in JAX tracer
  ☆29Updated 3 months ago
• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆40Updated 10 months ago
• e3nn / e3nn-jax
  jax library for E3 Equivariant Neural Networks
  ☆221Updated 4 months ago
• VectorInstitute / VariationalNeuralAnnealing
  A variational implementation of classical and quantum annealing using recurrent neural networks for the purpose of solving optimization p…
  ☆31Updated 2 years ago
• noegroup / rigid-flows
  ☆12Updated 2 years ago
• DavidRuhe / clifford-group-equivariant-neural-networks
  Code used by the "Clifford Group Equivariant Neural Networks" paper.
  ☆90Updated last year
• take-koshizuka / NLSB
  ☆21Updated 11 months ago
• lollcat / fab-torch
  Flow Annealed Importance Sampling Bootstrap (FAB). ICLR 2023.
  ☆66Updated last year
• maxxxzdn / jax-geometric
  Implementation of various equivariant models in JAX
  ☆12Updated last year
• tomdbar / naqs-for-quantum-chemistry
  Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".
  ☆43Updated 3 years ago
• noegroup / stochastic_normalizing_flows
  Stochastic Normalizing Flows
  ☆78Updated 4 years ago
• samuelkim314 / DeepBO
  Deep Bayesian Optimization for Problems with High-Dimensional Structure
  ☆16Updated 3 years ago
• microsoft / folx
  Implementation of Forward Laplacian algorithm in JAX
  ☆93Updated last month
• sail-sg / d4ft
  A JAX library for Density Functional Theory.
  ☆54Updated last month
• wwang2 / Coarse-Graining-Auto-encoders
  ☆38Updated 3 years ago
• graphcore-research / pyscf-ipu
  PySCF on IPU
  ☆44Updated last year
• li012589 / neuralCT
  Pytorch implement of the paper Neural Canonical Transformation with Symplectic Flows
  ☆31Updated 5 years ago
• ChemAI-Lab / ofdft_nflows
  Nomalizing flows for orbita-free DFT
  ☆11Updated last year
• fermiflow / hydrogen
  variational free-energy of dense hydrogen
  ☆13Updated 2 years ago
• gerkone / egnn-jax
  E(n) Equivariant GNN in jax
  ☆14Updated 2 years ago