Alternatives and similar repositories for AlphaMat

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

• odysie / thermoelectricsdb
  ☆16Updated 2 years ago
• peizong / alloy2vec
  ☆11Updated last year
• berkelbach-group / pyrho
  a python package for reduced density matrix techniques
  ☆16Updated 5 years ago
• materialsvirtuallab / nano281
  Data Science for Materials Science
  ☆65Updated 2 weeks ago
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆96Updated 5 months ago
• dftd4 / tad-dftd4
  PyTorch Autodiff DFT-D4 Implementation.
  ☆21Updated last week
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆46Updated this week
• KRICT-DATA / SIMD
  ☆13Updated 2 years ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆104Updated last week
• usnistgov / intermat
  Project to setup and analyze interface calculations using density functional theory.
  ☆22Updated last month
• CederGroupHub / SynthesisSimilarity
  ☆31Updated last year
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆47Updated this week
• JARVIS-Materials-Design / jarvis-tools-notebooks
  This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…
  ☆92Updated 3 months ago
• mattmcdermott / novel-materials-screening
  Screening the Materials Project for novel materials to be synthesized by the autonomous laboratory (A-Lab).
  ☆46Updated 2 years ago
• hackingmaterials / automatminer
  An automatic engine for predicting materials properties.
  ☆164Updated last year
• luzihen / pymatgen_examples
  Some examples of using pymatgen code
  ☆23Updated last year
• Open-Quantum-Platform / openqp
  The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.
  ☆41Updated this week
• materialsproject / emmet
  Be a master builder of databases of material properties. Avoid the Kragle.
  ☆64Updated this week
• Open-Catalyst-Project / AdsorbML
  Corresponding dataset and tools for the AdsorbML manuscript.
  ☆41Updated 8 months ago
• GOMC-WSU / GOMC
  GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
  ☆83Updated last week
• emartineznunez / AutoMeKin
  Automated discovery of reaction Mechanisms and Kinetics
  ☆24Updated 3 months ago
• sudarshanv01 / coeffnet
  Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.
  ☆11Updated last year
• radi0sus / orca_ir
  Plots IR spectra from from ORCA output files
  ☆22Updated last year
• Ramprasad-Group / ML-DFT
  Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
  ☆22Updated last year
• M3RG-IITD / MDBENCHGNN
  ☆11Updated last year
• gaox-qd / pysoc
  PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+
  ☆43Updated last year
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆46Updated 2 months ago
• SUNCAT-Center / catmap
  Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
  ☆110Updated last year
• SUNCAT-Center / CatLearn
  A machine learning environment for atomic-scale modeling in surface science and catalysis.
  ☆116Updated last year
• Teoroo-CMC / PiNN
  A Python library for building atomic neural networks
  ☆119Updated last week