Alternatives and similar repositories for DADApy

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

• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆110Updated 10 months ago
• noegroup / bgflow
  Boltzmann Generators and Normalizing Flows in PyTorch
  ☆187Updated 2 years ago
• senya-ashukha / simple-equivariant-gnn
  A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
  ☆139Updated 4 years ago
• ur-whitelab / maxent
  MaxEnt code for fitting simulation outcomes/statistical models to observations
  ☆16Updated 3 years ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆54Updated 10 months ago
• google-deepmind / flows_for_atomic_solids
  ☆53Updated 3 years ago
• lollcat / se3-augmented-coupling-flows
  SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.
  ☆24Updated last year
• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆40Updated 11 months ago
• proteneer / timemachine
  Differentiate all the things!
  ☆164Updated last month
• materials-data-facility / awesome-bayesian-optimization
  ☆44Updated last year
• noegroup / paper_boltzmann_generators
  ☆92Updated 4 years ago
• e3nn / e3nn-jax
  jax library for E3 Equivariant Neural Networks
  ☆223Updated 5 months ago
• vgsatorras / en_flows
  ☆60Updated 3 years ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆36Updated 2 years ago
• michael-0brien / cryojax
  A cryo-electron microscopy image simulation library for building data analysis in JAX
  ☆43Updated this week
• leojklarner / gauche
  A Library for Gaussian Processes in Chemistry
  ☆249Updated last year
• blondegeek / e3nn_tutorial
  repository and website for tutorials on 3d Euclidean equivariant neural networks
  ☆77Updated 4 years ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆46Updated 2 years ago
• wwang2 / Coarse-Graining-Auto-encoders
  ☆38Updated 4 years ago
• LarsHoldijk / SOCTransitionPaths
  ☆34Updated 3 years ago
• psipred / cgdms
  Differentiable molecular simulation of proteins with a coarse-grained potential
  ☆56Updated 10 months ago
• transferable-samplers / transferable-samplers
  A repo for transferable sampling of molecular systems
  ☆36Updated last month
• ur-whitelab / BO-ICL
  BayesOpt + LIFT
  ☆74Updated 8 months ago
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆98Updated 4 months ago
• risilab / cormorant
  Codebase for Cormorant Neural Networks
  ☆60Updated 3 years ago
• aspuru-guzik-group / phoenics
  Phoenics: Bayesian optimization for efficient experiment planning
  ☆95Updated 6 years ago
• thorben-frank / mlff
  Build neural networks for machine learning force fields with JAX
  ☆132Updated 8 months ago
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆40Updated 3 years ago
• prescient-design / e3tools
  Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0
  ☆17Updated 2 months ago
• stefanch / sGDML
  sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model
  ☆163Updated 7 months ago