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About Openchem: A Deep Learning Toolkit For Computational Chemistry and Drug Design
This document introduces OpenChem, a deep learning toolkit for computational chemistry and drug design built on PyTorch. OpenChem aims to make deep learning models easier to develop for computational chemists through a modular design that allows building blocks like encoders and decoders to be combined through a configuration file. It supports tasks like classification, regression, and molecule generation. OpenChem handles tasks like multi-GPU training, logging, and reproducibility to aid in research. The document provides an overview of OpenChem's capabilities and design.
Detailed Information
| Author: | ['Harutyun Sahakyan'] |
|---|---|
| Publication Year: | 2020 |
| Pages: | 15 |
| Language: | English |
| Format: | |
| Price: | FREE |
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