microsoft / folx

Related projects ⓘ

Alternatives and complementary repositories for folx

• y1xiaoc / fwdlap
  Forward mode laplacian implemented in JAX tracer
  ☆29Updated 2 weeks ago
• patrick-kidger / quax
  Multiple dispatch over abstract array types in JAX.
  ☆105Updated last week
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆92Updated last week
• graphcore-research / pyscf-ipu
  PySCF on IPU
  ☆42Updated 8 months ago
• sail-sg / jax_xc
  Exchange correlation functionals translated from libxc to jax
  ☆43Updated 11 months ago
• e3nn / e3nn-jax
  jax library for E3 Equivariant Neural Networks
  ☆184Updated last month
• google-deepmind / flows_for_atomic_solids
  ☆48Updated 2 years ago
• NVIDIA / cuEquivariance
  cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…
  ☆53Updated this week
• n-gao / pesnet
  Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…
  ☆28Updated 5 months ago
• sail-sg / autofd
  Automatic Functional Differentiation in JAX
  ☆57Updated 9 months ago
• 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…
  ☆51Updated 5 months ago
• ASEM000 / kernex
  Stencil computations in JAX
  ☆66Updated last year
• flatironinstitute / jax-finufft
  JAX bindings to the Flatiron Institute Non-uniform Fast Fourier Transform (FINUFFT) library
  ☆80Updated last week
• maxxxzdn / jax-geometric
  Implementation of various equivariant models in JAX
  ☆12Updated 7 months ago
• pnkraemer / matfree
  Matrix-free linear algebra in JAX.
  ☆106Updated 2 months ago
• noegroup / rigid-flows
  ☆10Updated 11 months ago
• fishjojo / pyscfad
  PySCF with auto-differentiation
  ☆69Updated last week
• jeffminlin / vmcnet
  Flexible, general-purpose VMC framework, built on JAX.
  ☆24Updated 5 months ago
• SaitejaUtpala / rieoptax
  Riemannian Optimization Using JAX
  ☆45Updated last year
• CCQC / Quax
  Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
  ☆62Updated 3 months ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆26Updated last year
• smsharma / eqnn-jax
  Annotated implementations of equivariant graph neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆21Updated this week
• rdyro / torch2jax
  Wraps PyTorch code in a JIT-compatible way for JAX. Supports automatically defining gradients for reverse-mode AutoDiff.
  ☆39Updated last week
• YWolfeee / lapjax
  A JAX based package designed for efficient second order operators (e.g., laplacian) computation.
  ☆70Updated 8 months ago
• NIFTy-PPL / JAXbind
  Bind any function written in another language to JAX with support for JVP/VJP/batching/jit compilation
  ☆61Updated 4 months ago
• ziatdinovmax / NeuroBayes
  Fully and Partially Bayesian Neural Nets
  ☆24Updated this week
• fermiflow / hydrogen
  variational free-energy of dense hydrogen
  ☆11Updated last year
• risi-kondor / GElib
  C++/CUDA library for SO(3) equivariant operations
  ☆19Updated last month
• ASEM000 / pytreeclass
  Visualize, create, and operate on pytrees in the most intuitive way possible.
  ☆41Updated last month
• buwantaiji / FermiFlow
  Ab-initio simulation of interacting fermions with equivariant normalizing flow.
  ☆31Updated 2 years ago