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Hi there 👋 welcome to my Github! I'm passionate and involved in Comuter Science, ML and DF. I also like Python and I'm exploring Cloud Tech 🐍 🤖

Docker

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Evgenii's Projects

graphretro icon graphretro

Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)

localretro icon localretro

Retrosynthesis Prediction by Learning the Local Chemical Reactivity with Nonlocal Attention

megan icon megan

Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"

minbpe icon minbpe

Minimal, clean code for the Byte Pair Encoding (BPE) algorithm commonly used in LLM tokenization.

pytorch-image-models icon pytorch-image-models

PyTorch image models, scripts, pretrained weights -- ResNet, ResNeXT, EfficientNet, EfficientNetV2, NFNet, Vision Transformer, MixNet, MobileNet-V3/V2, RegNet, DPN, CSPNet, and more

rxnfp icon rxnfp

Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).

tda icon tda

Topological data Analysis

torchdrug icon torchdrug

A powerful and flexible machine learning platform for drug discovery

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