Shypd.aiThe largest open index of AI toolschainer-chemistry is an Open Source deep learning library for biology and chemistry applications, built on the Chainer framework. It supports various state-of-the-art models for chemical property prediction and molecular graph generation.
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Chainer Chemistry is an open-source deep learning library specifically designed for applications in biology and chemistry. Built upon the Chainer framework, it provides support for a variety of state-of-the-art models, with a particular focus on Graph Convolutional Neural Networks (GCNN) for chemical property prediction. The library enables researchers and developers to train new models on given datasets, perform inference using pre-trained models, and evaluate the performance of different models. It supports numerous GCNN architectures like NFP, GGNN, WeaveNet, SchNet, and MPNN, along with several chemical and network datasets such as QM9, Tox21, MoleculeNet, and ZINC. Chainer Chemistry is a valuable tool for academic research, facilitating advancements in areas like molecular graph generation and the explanation of GCNN predictions.
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