Name: Vassilis Vassiliadis
Type: User
Company: IBM Research
Bio: I enjoy building stuff. Currently, I am working towards making the Simulation Toolkit for Scientific Discovery amazing. See @st4sd for more!
Location: Dublin, Ireland
Vassilis Vassiliadis's Projects
Provides quantum-based methods for calculating the band-gap of a molecule.
Optimize a molecule using ANI and create a GAMESS input file using the result
A kubernetes based framework for hassle free handling of datasets
Provides quantum methods to calculate the excitation energy of molecules
Tuning scripts using Hugging Face `SFTTrainer`
Hello world
Location for the LSF Python wrapper for controlling all things LSF
Uses the RASPA software package to simulate adsorption isotherms on nanoporous materials.
Uses the Zeo++ software package to calculate geometric properties of nanoporous materials.
Miscellaneous utilities to handle DAGs of virtual experiments using ST4SD