Alternatives and similar repositories for nimsos

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

• mjrs33 / paper
  ☆27Updated 3 years ago
• tsudalab / combo3
  COMBO for Python 3
  ☆34Updated 3 years ago
• matlantis / atomistic-simulation-tutorial
  Atomistic simulation hands on tutorial on Matlantis
  ☆63Updated 4 months ago
• matlantis / matlantis-contrib
  ☆46Updated 3 weeks ago
• quantumbeam / BBO-Rietveld
  Automated crystal structure analysis based on blackbox optimisation
  ☆34Updated last year
• yoshida-lab / XenonPy
  XenonPy is a Python Software for Materials Informatics
  ☆147Updated last year
• kaityo256 / md2019
  分子動力学法の理論と実装(集中講義ノート)
  ☆31Updated 7 months ago
• kanojikajino / ml4chem
  「機械学習による分子最適化」のサポートページ
  ☆12Updated last year
• cmsi / MateriAppsLive
  Live Debian GNU/Linux System for MateriApps Applications
  ☆57Updated 2 months ago
• kaityo256 / mdstep
  分子動力学法ステップ・バイ・ステップ
  ☆17Updated 6 years ago
• issp-center-dev / PHYSBO
  PHYSBO -- optimization tools for PHYsics based on Bayesian Optimization
  ☆83Updated last week
• hkaneko1985 / python_data_analysis_ohmsha
  「化学のためのPythonによるデータ解析・機械学習入門」サンプルプログラム
  ☆60Updated 9 months ago
• omron-sinicx / neural-structure-field
  ☆11Updated 11 months ago
• originofmatter / MatGAN
  Generative deep learning model for inorganic materials
  ☆19Updated 2 years ago
• resnant / dmol-book-japanese
  Japanese translation of "Deep learning for molecules and materials book"
  ☆16Updated 3 years ago
• giprayogo / SHRY
  A tool for generating unique ordered structures corresponding to a given disordered structure.
  ☆17Updated 2 years ago
• aspuru-guzik-group / gpHSP
  Code to build a probabilistic predictive model for HSP
  ☆37Updated 3 years ago
• tsudalab / PDC
  Efficient phase diagram construction based on uncertainty sampling
  ☆15Updated 3 years ago
• yoshida-lab / MTL_ChiParameter
  Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters
  ☆17Updated last year
• hikaruri / OMXsigmaxy
  Computing anomalous Hall conductivity in OpenMX
  ☆12Updated 3 months ago
• hkaneko1985 / dcekit
  DCEKit (Data Chemical Engineering toolKit)
  ☆71Updated 4 months ago
• RadonPy / RadonPy
  RadonPy is a Python library to automate physical property calculations for polymer informatics.
  ☆229Updated 3 weeks ago
• lan496 / jax-xtal
  An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)
  ☆10Updated 3 years ago
• NIMS-DA / nimo
  nimo
  ☆17Updated last month
• issp-center-dev / abICS
  ab-Initio Configuration Sampling tool kit (abICS)
  ☆18Updated 2 weeks ago
• deepmaterials / slmat
  SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27
  ☆21Updated 2 months ago
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3 (not actively maintained)
  ☆89Updated last year
• tsudalab / combo
  COMmon Bayesian Optimization
  ☆159Updated 4 years ago
• fsk-lab / botier
  Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs
  ☆11Updated 3 months ago
• uw-cmg / MoleProp
  ☆13Updated last year