Alternatives and similar repositories for Xerus

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

• CJBartel / predict-gibbs-energies
  ☆21Updated 4 years ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• fairen-group / betsi-gui
  BET Surface Identification - a program that fully implements the rouquerol criteria
  ☆21Updated 2 years ago
• peteboyd / tobascco
  ☆16Updated 2 years ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆34Updated 4 months ago
• tcnicholas / chic
  Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…
  ☆14Updated 8 months ago
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆92Updated last month
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆47Updated 3 weeks ago
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
  ☆33Updated this week
• materialsvirtuallab / nano281
  Data Science for Materials Science
  ☆64Updated last week
• ttadano / ALM
  ☆21Updated last year
• symmy596 / SurfinPy
  Thermodynamic Phase Diagram Generator
  ☆55Updated 3 years ago
• WMD-group / PyTASER
  Python package to simulate differential absorption spectra of crystals from first principles
  ☆31Updated this week
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆48Updated 11 months ago
• rytheranderson / cif2lammps
  For the conversion of crystal systems (as cifs) to LAMMPS inputs
  ☆24Updated 3 years ago
• SINGROUP / matid
  MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…
  ☆23Updated last year
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated last week
• sparks-baird / xtal2png
  Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.
  ☆37Updated last year
• rekumar / labgraph
  A graph database tool for experimental data in materials science and chemistry.
  ☆19Updated 7 months ago
• materialsproject / MPContribs
  Platform for materials scientists to contribute and disseminate their materials data through Materials Project
  ☆39Updated last week
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆57Updated 8 months ago
• sparks-baird / CrabNet
  Predict materials properties using only the composition information!
  ☆17Updated 2 months ago
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆54Updated 8 months ago
• enze-chen / mi-book-2022
  Jupyter Book source files for 2022 MSD summer research internship.
  ☆13Updated 2 years ago
• janosh / thermo
  Data-driven risk-conscious thermoelectric materials discovery
  ☆16Updated last month
• TRI-AMDD / CAMD
  Agent-based sequential learning software for materials discovery
  ☆63Updated last year
• nomad-coe / nomad
  NOMAD lets you manage and share your materials science data in a way that makes it truly useful to you, your group, and the community.
  ☆90Updated this week
• iRASPA / RUPTURA
  ☆37Updated 6 months ago
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆44Updated last week