Search Results for "python molecular"
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Showing 3 open source projects for "python molecular"
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Context for your AI agentsBuild data pipelines that feed your AI models and agents without managing infrastructure. Crawl any website, transform content, and push directly to your preferred vector store. Use 10,000+ tools for RAG applications, AI assistants, and real-time knowledge bases. Monitor site changes, trigger workflows on new data, and keep your AIs fed with fresh, structured information. Cloud-native, API-first, and free to start until you need to scale.
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1
Chemprop
Message Passing Neural Networks for Molecule Property Prediction
Chemprop is a repository containing message-passing neural networks for molecular property prediction. -
2
DeepChem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, etc
...All tutorials are designed to be run on Google collab (or locally if you prefer). Tutorials are arranged in a suggested learning sequence that will take you from beginner to proficient at molecular machine learning and computational biology more broadly. -
3
Spektral
Graph Neural Networks with Keras and Tensorflow 2
Spektral is a Python library for graph deep learning, based on the Keras API and TensorFlow 2. The main goal of this project is to provide a simple but flexible framework for creating graph neural networks (GNNs). You can use Spektral for classifying the users of a social network, predicting molecular properties, generating new graphs with GANs, clustering nodes, predicting links, and any other task where data is described by graphs.
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