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adtoldap

A light weight Active Directory to OpenLDAP, or OpenLDAP to OpenLDAP Synchronization Connector written in Golang.

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

chem101.6

configspace

dmasif

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

geoppi

grover

This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data

han

TensorFlow implementation of Z. Hu et al. "Listening to Chaotic Whispers: A Deep Learning Framework for News-oriented Stock Trend Prediction", WSDM 2018

hr_demo_web

ipymonaco

A Jupyter widget that renders the Microsoft's Monaco text editor inline within the notebook.

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

neuraldecipher

Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures" by Tuan Le, Robin Winter, Frank Noé and Djork-Arné Clevert

nextmng

FoodCAST Experiment setup for WiredNext

notebooks

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

pharmhgt

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