化学×AI技術で世界を変える研究室

Equipment

Research Equipment

一人一台(以上)データ解析用デスクトップPC

  • DELL Precision 5820
  • 27 (31.5) inch display×2

Workstations 1

  • NVIDIA RTX A6000 ×4など

Workstations 2

Clusters

  • Intel Xeon CPUs × 20
  • NVIDIA Tesla V100 16GB ×10
  • NVIDIA Tesla V100 32GB ×6
  • NVIDIA Tesla V100S 32GB ×5

2

Software

  • Molecular Operating Environment (統合分子開発環境): https://www.chemcomp.com/Products.htm
  • Amber20, AmberTools20 (分子動力学): https://ambermd.org/AmberMD.php
  • OpenEye Toolkits (ケモインフォマティクスライブラリ): https://www.eyesopen.com/

Databases

  • Pistachio (有機合成反応DB): https://www.nextmovesoftware.com/pistachio.html
  • Biovia available chemicals directory (購入可能な化合物DB): https://www.3ds.com/products-services/biovia/products/scientific-informatics/biovia-databases/
  • Dictionary of Natural products (天然物DB): https://dnp.chemnetbase.com/faces/chemical/ChemicalSearch.xhtml
  • Cambridge structural database (結晶構造DB): https://www.ccdc.cam.ac.uk/
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