Alternatives and similar repositories for DADApy

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

• noegroup / bgflow
  Boltzmann Generators and Normalizing Flows in PyTorch
  ☆172Updated last year
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆108Updated 4 months ago
• leojklarner / gauche
  A Library for Gaussian Processes in Chemistry
  ☆240Updated 10 months ago
• senya-ashukha / simple-equivariant-gnn
  A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
  ☆134Updated 3 years ago
• e3nn / e3nn-jax
  jax library for E3 Equivariant Neural Networks
  ☆212Updated 7 months ago
• LarsHoldijk / SOCTransitionPaths
  ☆31Updated 2 years ago
• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆37Updated 5 months ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆50Updated 5 months ago
• materials-data-facility / awesome-bayesian-optimization
  ☆41Updated last year
• risilab / cormorant
  Codebase for Cormorant Neural Networks
  ☆60Updated 3 years ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆42Updated 2 years ago
• ur-whitelab / maxent
  MaxEnt code for fitting simulation outcomes/statistical models to observations
  ☆16Updated 3 years ago
• proteneer / timemachine
  Differentiate all the things!
  ☆157Updated last month
• noegroup / paper_boltzmann_generators
  ☆89Updated 3 years ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆35Updated 2 years ago
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆84Updated last month
• 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…
  ☆59Updated 4 months ago
• blondegeek / e3nn_tutorial
  repository and website for tutorials on 3d Euclidean equivariant neural networks
  ☆73Updated 4 years ago
• aspuru-guzik-group / olympus
  Olympus: a benchmarking framework for noisy optimization and experiment planning
  ☆87Updated 9 months ago
• vgsatorras / en_flows
  ☆59Updated 3 years ago
• lollcat / se3-augmented-coupling-flows
  SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.
  ☆24Updated last year
• wwang2 / Coarse-Graining-Auto-encoders
  ☆40Updated 3 years ago
• google-deepmind / flows_for_atomic_solids
  ☆52Updated 2 years ago
• aspuru-guzik-group / phoenics
  Phoenics: Bayesian optimization for efficient experiment planning
  ☆94Updated 6 years ago
• ziatdinovmax / pyroVED
  Invariant representation learning from imaging and spectral data
  ☆51Updated last year
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆75Updated 4 months ago
• ma921 / BASQ
  (NeurIPS 2022) Fast Bayesian Inference with Batch Bayesian Quadrature via Kernel Recombination
  ☆19Updated last year
• thorben-frank / mlff
  Build neural networks for machine learning force fields with JAX
  ☆124Updated 2 months ago
• gerkone / segnn-jax
  Steerable E(3) GNN in jax
  ☆24Updated last year
• psipred / cgdms
  Differentiable molecular simulation of proteins with a coarse-grained potential
  ☆55Updated 4 months ago