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
- NVIDIA RTX A6000×4
- NVIDIA RTX 4090×4 など
Clusters
- Intel Xeon CPUs × 20
- NVIDIA Tesla V100 16GB ×10
- NVIDIA Tesla V100 32GB ×6
- NVIDIA Tesla V100S 32GB ×5
- NVIDIA RTX 6000Ada 48GB ×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/