virtual-screening topic
List
virtual-screening repositories
labodock
29
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9
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LABODOCK: A Colab-Based Molecular Docking Tools
automated-qsar-framework
17
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7
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Automated framework for the curation of chemogenomics data and to develop QSAR models for virtual screening using the open-source KNIME software
DD_protocol
84
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28
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Official repository for the Deep Docking protocol
rDock
43
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20
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rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campa...
dyscore
20
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4
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Open source code for DyScore
ML-ensemble-docking
21
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8
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Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
DeepLBVS
16
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6
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Ligand-based Virtual Screening using Deep Learning
ACP4
15
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3
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AutoCorrelation of Pharmacophore Features
lohi_splitter
51
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0
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Lo-Hi Splitter for Modern Splits of Molecular Datasets