Alternatives and similar repositories for Kurchin_CV

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

• PinwenGuan / JAX-TherMo
  A demo code for implementation of differentiable thermodynamic modeling in JAX.
  ☆10Updated 4 years ago
• gerkone / segnn-jax
  Steerable E(3) GNN in jax
  ☆24Updated 2 years ago
• CederGroupHub / sparse-lm
  Sparse Linear Regression Models
  ☆19Updated 2 weeks ago
• zincware / IPSuite
  Machine Learned Interatomic Potential Tools
  ☆24Updated last week
• rajeshrinet / pygl
  PyGL: statistical field theory in Python. github.com/rajeshrinet/pygl
  ☆28Updated 6 months ago
• blondegeek / e3nn_symm_breaking
  Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"
  ☆16Updated 4 years ago
• salinisenthil / ConnGO
  Workflow for CONNectivity preserving Geometry Optimization
  ☆11Updated 4 years ago
• mfherbst / julia-for-materials
  Material of the seminar "Julia for Materials Modelling"
  ☆30Updated 2 years ago
• mehradans92 / shadyquant
  Shaded 😎 quantile plots
  ☆12Updated 3 years ago
• SimonEnsemble / data_science_course
  CHE 599 at Oregon State University
  ☆21Updated 4 years ago
• Chemellia / AtomicGraphNets.jl
  Atomic graph models for molecules and crystals in Julia
  ☆61Updated 3 years ago
• usccolumbia / materialsUQ
  Uncertainty Quantification for Materials Property Prediction: a Benchmark Study
  ☆17Updated last year
• petervanya / DPDsim
  A dissipative particle dynamics (DPD) project.
  ☆11Updated 2 years ago
• fabiannagel / schnax
  An implementation of SchNet in JAX and JAX-MD.
  ☆17Updated 3 years ago
• mfherbst / juliacon_dft_workshop
  A mathematical look on density-functional theory and DFTK
  ☆34Updated 4 years ago
• dftd4 / tad-dftd4
  PyTorch Autodiff DFT-D4 Implementation.
  ☆22Updated this week
• lamalab-org / pyepal
  Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
  ☆41Updated 8 months ago
• google-deepmind / flows_for_atomic_solids
  ☆53Updated 3 years ago
• JuliaMolSim / ASE.jl
  Julia Bindings for Atomic Simulation Environment
  ☆38Updated 5 years ago
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆45Updated 6 months ago
• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆39Updated 8 months ago
• GageDeZoort / prc_gnn_tutorial
  ☆14Updated 10 months ago
• digital-chemistry-laboratory / coulson
  Python code for Hückel and Pariser-Parr-Pople molecular orbital theory
  ☆15Updated 2 years ago
• apax-hub / apax
  A flexible and performant framework for training machine learning potentials.
  ☆30Updated last week
• ACEsuit / ACEhamiltonians.jl
  ☆17Updated 2 months ago
• maxxxzdn / jax-geometric
  Implementation of various equivariant models in JAX
  ☆12Updated last year
• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆12Updated 5 years ago
• Chemellia / ChemistryFeaturization.jl
  Interface package for featurizing atomic structures
  ☆42Updated 2 years ago
• lantunes / skipatom
  Distributed representations of atoms, inspired by the Skip-gram model
  ☆26Updated 2 years ago
• sirmarcel / glp
  tools for graph-based machine-learning potentials in jax
  ☆25Updated last year