Vito Spadavecchio 's Projects
A Python implementation of global optimization with gaussian processes.
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
CReM: chemically reasonable mutations framework
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
Autoencoder network for learning a continuous representation of molecular structures.
Selects subset of molecules from set that meets bit diversity requirements
OSM4 Predictions, Round 2
Predictions Only
S4 predictions for OSM
Experiments with expanded ensembles to explore chemical space
PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
A Python implementation of the DESeq2 pipeline for bulk RNA-seq DEA.
Single-Cell Analysis in Python. Scales to >1M cells.
Can we Predict Active Compounds in OSM Series 4?
An implementation of the Solubility Forecast Index (SFI)
Recovery of active molecules from larger dataset using shannon entropy as selection metric
Open source code for TankBind. Galixir Tenchnologies
Target Identification Workflow using CHEMBL Naive Bayes approach
Training and evaluating a variational autoencoder for pan-cancer gene expression data