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chempropFast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
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integration-testensure core packaging tools work well with each other
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MoleculeJSA library for creating fast and reactive Custom Elements
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jvm-toxcore-cJVM (Java/Scala/Kotlin) bindings to toxcore
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cellblenderCreate, Simulate, Visualize, and Analyze Realistic 3D Cell Models
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Ansible DockerswarmDocker Engine clustering using "Swarm Mode" and Ansible
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isotoxinIsotoxin source
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Dgl LifesciPython package for graph neural networks in chemistry and biology
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specTox Protocol Specification
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molecule-demoMolecule for Ansible Role Testing Demonstration for AnsibleFest 2017
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