Software Case Studies
TURBOMOLE
Quantum ChemistryOffers ab-initio electronic
structure calculations. 
Solid State Ab initioAtomic scale materials modelling, and quantum-mechanical molecular dynamics, from first principles.
Release Notes
COSMOtherm
ThermodynamicsUniversal tool for predictive property calculation of liquids, and combines quantum chemistry and thermodynamics including co-crystal screening.
|
Materials/Polymer ScienceAtomistic-scale simulation and
modelling of materials. Release Notes
SeeSAR
Docking & Scaffold HoppingSeeSAR is a interactive, visual prioritization tool. Structure-based design supports a multi-parameter optimization to success,
|
StarDrop
Medicinal ChemistrySoftware solutions for small molecule design, optimisation and data analysis.
CDD Vault & ELN
Biological/Chemical ELNCDD Vault is a complete platform for drug discovery informatics, hosted through an intuitive web interface.
infiniSee
Compounds on-demandinfiniSee is the world's largest, ultra-fast searchable chemical space developed in collaboration with Enamine Ltd.
|
