Name: Roberto
Type: User
Company: Janssen Pharmaceutica NV
Bio: I am a chemist specialized in chemoinformatics, ligand design and medicinal chemistry.
Chemist, programmer, drug discoverer, story teller, bass player.
Twitter: rrtfni
Location: Antwerp, BE
Blog: https://www.linkedin.com/in/robertofino/
Roberto 's Projects
Bright Wire is an open source machine learning library for .NET with GPU support (via CUDA)
RDKit .NET wrapper.
A fast and efficient multi-spectrum anlayzer for 2-D NMR Fragment Screening based on SMOTE-ENN machine-learning discriminator.
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Catalog of Open Source Molecular Modeling Projects
Molecular force field parametrization tool
The official sources for the RDKit library