Alternatives and similar repositories for gpCAM:

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

• pyiron / executorlib
  Up-scale python functions for high performance computing (HPC)
  ☆31Updated this week
• EDRIXS / edrixs
  An open source toolkit for simulating RIXS spectra based on ED
  ☆34Updated last week
• by256 / rdfpy
  A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
  ☆29Updated last year
• usnistgov / hermes
  flexible materials modeling and lab automation
  ☆13Updated 8 months ago
• times-software / feff10
  ☆24Updated this week
• elvissoares / PyDFTlj
  An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
  ☆17Updated 7 months ago
• maroba / multipoles
  A Python package for multipole expansions of electrostatic or gravitational potentials
  ☆43Updated 4 months ago
• libAtoms / pymatnest
  Nested Sampling code
  ☆32Updated 7 months ago
• CrossFacilityWorkflows / DOE-HPC-workflow-training
  Repo for a DOE HPC workflow training event
  ☆13Updated 2 years ago
• mala-project / mala
  Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
  ☆90Updated this week
• PinwenGuan / JAX-TherMo
  A demo code for implementation of differentiable thermodynamic modeling in JAX.
  ☆10Updated 3 years ago
• mlexchange / mlex
  MLExchange is software infrastructure that deploys machine learning models to beamline scientists
  ☆17Updated last year
• spglib / spgrep
  On-the-fly generator of space-group irreducible representations
  ☆49Updated this week
• LLNL / TopoMS
  Topological Analysis for Molecular Systems
  ☆17Updated 6 years ago
• openkim / kimpy
  Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.
  ☆16Updated 2 weeks ago
• numfys / numfys
  A resource for use of numerical physics with Python, covering many topics in physics.
  ☆35Updated 2 years ago
• xopt-org / Xopt
  Flexible high-level optimization in Python
  ☆81Updated last week
• AdvancedPhotonSource / ptychodus
  Ptychodus is a ptychography data analysis application.
  ☆13Updated this week
• openkim / kim-api
  The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …
  ☆32Updated last week
• ziatdinovmax / AugmentedGaussianProcess
  Gaussian process augmented with a probabilistic model of expected system's behavior
  ☆15Updated 3 years ago
• Cascella-Group-UiO / HyMD
  Massively parallel hybrid particle-field molecular dynamics in Python.
  ☆27Updated 8 months ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆48Updated 2 weeks ago
• PaNOSC-ViNYL / SimEx
  Start-to-end photon experiment simulation platform
  ☆26Updated last year
• VlachosGroup / renview
  The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…
  ☆22Updated 9 months ago
• exalearn / colmena
  Library for steering campaigns of simulations on supercomputers
  ☆53Updated this week
• pyiron / pyiron_meltingpoint
  A fully automated approach to determine the melting temperature of crystalline materials
  ☆18Updated 9 months ago
• DallasTrinkle / Onsager
  Onsager coefficients for interstitial and vacancy-mediated diffusion
  ☆11Updated 3 months ago
• IlianPihlajamaa / ModeCouplingTheory.jl
  A generic and fast solver of mode-coupling theory-like integrodifferential equations
  ☆18Updated last month
• f-fathurrahman / ffr-ElectronicStructure.jl
  Electronic structure calculations using Julia
  ☆14Updated 3 years ago
• ctk3b / pyoz
  pyOZ: An iterative Ornstein-Zernike equation solver
  ☆7Updated 2 years ago