riccardosabatini's repositories
annlib
ANN: A Library for Approximate Nearest Neighbor Searching
augmented_memory
Augmented Memory and Beam Enumeration implementation
auto-sklearn
Automated Machine Learning with scikit-learn
dockernel
Dockerized Jupyter kernels.
espsim
Scoring of shape and ESP similarity with RDKit
FraGAT
FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction
grover
This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data
libcircllhist
A C implementation of Circonus log-linear histograms
masif_seed
Masif seed paper repository
MGSSL
Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
molformer
Repository for MolFormer
ogb-lsc-pcqm4mv2
The OGB-LSC is the Large Scale Competition by Open Graph Benchmark to help accelerate research into machine learning on graph structured data
openfortivpn
Client for PPP+SSL VPN tunnel services
paper-qa
LLM Chain for answering questions from documents with citations
PARCE-1
PARCE version 1.0
pharmit
Open-source online virtual screening tools for large databases
pHash
pHash - the open source perceptual hash library
pLannotate
Webserver and command line tool for annotating engineered plasmids
ProtTrans
ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.
ScaffoldGraph
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
SELFormer
SELFormer: Molecular Representation Learning via SELFIES Language Models
TankBind
Open source code for TankBind. Galixir Tenchnologies