tsudalab / fmqa

Related projects: ⓘ

• issp-center-dev / PHYSBO
  PHYSBO -- optimization tools for PHYsics based on Bayesian Optimization
  ☆68Updated 3 weeks ago
• matlantis-pfcc / matlantis-contrib
  ☆28Updated last month
• koji-inui / automatic-hamiltonian-design
  ☆30Updated 2 years ago
• YoshioNishimoto / sandbox
  PySCFのチュートリアルです。
  ☆11Updated 2 months ago
• mjrs33 / paper
  ☆14Updated last year
• matlantis-pfcc / atomistic-simulation-tutorial
  Atomistic simulation hands on tutorial on Matlantis
  ☆26Updated last year
• cmsi / MateriAppsLive
  Live Debian GNU/Linux System for MateriApps Applications
  ☆53Updated last month
• hikaruri / OMXsigmaxy
  Computing anomalous Hall conductivity in OpenMX
  ☆10Updated last year
• tsudalab / combo3
  COMBO for Python 3
  ☆31Updated last year
• compsci-alliance / many-body-problems
  CSA Lecture "Computational Science for Many-Body Problems" (多体問題の計算科学)
  ☆38Updated last year
• Kenji-Sugisaki / QCC-on-QCs
  ☆27Updated this week
• yoshida-lab / MTL_ChiParameter
  Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters
  ☆13Updated 5 months ago
• TsuyoshiOkubo / Introduction-to-Tensor-Network
  ☆23Updated last year
• quantumbeam / BBO-Rietveld
  Automated crystal structure analysis based on blackbox optimisation
  ☆23Updated 4 months ago
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆107Updated 3 months ago
• shin1koda / dmf
  A Python implementation of the direct MaxFlux method for transition state search
  ☆20Updated last month
• issp-center-dev / HPhi
  Quantum Lattice Model Simulator Package
  ☆90Updated last month
• ProteinDF / ProteinDF
  Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein
  ☆12Updated 3 weeks ago
• kaityo256 / mdstep
  分子動力学法ステップ・バイ・ステップ
  ☆15Updated 4 years ago
• wotto27oct / QTensorNet
  ☆17Updated 3 years ago
• Qulacs-Osaka / quantum_software_handson
  ☆33Updated last month
• nimsos-dev / nimsos
  ☆14Updated last month
• tencent-quantum-lab / TenCirChem
  Quantum computational chemistry based on TensorCircuit
  ☆63Updated 8 months ago
• yoshida-lab / XenonPy
  XenonPy is a Python Software for Materials Informatics
  ☆133Updated 2 months ago
• kaityo256 / md2019
  分子動力学法の理論と実装(集中講義ノート)
  ☆29Updated last year
• tsudalab / PDC
  Efficient phase diagram construction based on uncertainty sampling
  ☆14Updated 2 years ago
• issp-center-dev / abICS
  ab-Initio Configuration Sampling tool kit (abICS)
  ☆15Updated last week
• giprayogo / SHRY
  A tool for generating unique ordered structures corresponding to a given disordered structure.
  ☆16Updated 8 months ago
• tsudalab / combo
  COMmon Bayesian Optimization
  ☆147Updated 3 years ago
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3
  ☆61Updated last month