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.
  ☆109Updated 8 months ago
• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆40Updated 9 months ago
• noegroup / bgflow
  Boltzmann Generators and Normalizing Flows in PyTorch
  ☆184Updated last year
• ur-whitelab / maxent
  MaxEnt code for fitting simulation outcomes/statistical models to observations
  ☆16Updated 3 years ago
• senya-ashukha / simple-equivariant-gnn
  A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
  ☆139Updated 3 years ago
• LarsHoldijk / SOCTransitionPaths
  ☆34Updated 3 years ago
• materials-data-facility / awesome-bayesian-optimization
  ☆43Updated last year
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆54Updated 8 months ago
• lollcat / se3-augmented-coupling-flows
  SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.
  ☆24Updated last year
• leojklarner / gauche
  A Library for Gaussian Processes in Chemistry
  ☆246Updated last year
• blondegeek / e3nn_tutorial
  repository and website for tutorials on 3d Euclidean equivariant neural networks
  ☆76Updated 4 years ago
• wwang2 / Coarse-Graining-Auto-encoders
  ☆40Updated 3 years ago
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆90Updated 2 months ago
• ma921 / BASQ
  (NeurIPS 2022) Fast Bayesian Inference with Batch Bayesian Quadrature via Kernel Recombination
  ☆19Updated 2 years ago
• transferable-samplers / transferable-samplers
  A repo for transferable sampling of molecular systems
  ☆33Updated 2 weeks ago
• e3nn / e3nn-jax
  jax library for E3 Equivariant Neural Networks
  ☆220Updated 3 months ago
• DiffusionMapsAcademics / pyDiffMap
  Library for diffusion maps
  ☆46Updated 3 years ago
• google-deepmind / flows_for_atomic_solids
  ☆53Updated 3 years ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆46Updated 2 years ago
• sparks-baird / dist-matrix
  Fast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.
  ☆18Updated 11 months ago
• Ryan-Rhys / FlowMO
  Library for training Gaussian Processes on Molecules
  ☆36Updated 3 years ago
• risilab / cormorant
  Codebase for Cormorant Neural Networks
  ☆60Updated 3 years ago
• aspuru-guzik-group / olympus
  Olympus: a benchmarking framework for noisy optimization and experiment planning
  ☆91Updated last year
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆40Updated 3 years ago
• ur-whitelab / BO-ICL
  BayesOpt + LIFT
  ☆74Updated 6 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…
  ☆63Updated 7 months ago
• proteneer / timemachine
  Differentiate all the things!
  ☆162Updated 2 weeks ago
• noegroup / paper_boltzmann_generators
  ☆90Updated 4 years ago
• sathya-chitturi / multibax-sklearn
  Design space subset estimation using Bayesian algorithm execution with sklearn GP models
  ☆25Updated last year
• thorben-frank / mlff
  Build neural networks for machine learning force fields with JAX
  ☆127Updated 6 months ago