Benedek A. Rozemberczki/Homepage /Twitter /GitHub /Google Scholar

• ⏰ Currently working on machine learning for drug discovery.
• 🤖 I would love to collaborate on the machine learning librariesChemicalX andRexMex.

• 🧬MOOMIN: Deep Molecular Omics Network for Anti-Cancer Drug Combination Therapy was accepted at CIKM 2022.
• 🪙The Shapley Value in Machine Learning was accepted at IJCAI 2022.
• ⭐A Unified View of Relational Deep Learning for Drug Pair Scoring was accepted at IJCAI 2022.
• ⚗️ChemicalX: A Deep Learning Library for Drug Pair Scoring was accepted at KDD 2022.

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1. pytorch_geometric_temporalpytorch_geometric_temporalPublic

   PyTorch Geometric Temporal: Spatiotemporal Signal Processing with Neural Machine Learning Models (CIKM 2021)

   Python 2.8k 389

2. PDNPDNPublic

   The official PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf '21)

   Python 58 11

3. awesome-graph-classificationawesome-graph-classificationPublic

   A collection of important graph embedding, classification and representation learning papers with implementations.

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4. karateclubkarateclubPublic

   Karate Club: An API Oriented Open-source Python Framework for Unsupervised Learning on Graphs (CIKM 2020)

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5. littleballoffurlittleballoffurPublic

   Little Ball of Fur - A graph sampling extension library for NetworKit and NetworkX (CIKM 2020)

   Python 709 56

6. shapleyshapleyPublic

   The official implementation of "The Shapley Value of Classifiers in Ensemble Games" (CIKM 2021).

   Python 220 35