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Img2Data
Img2Data PublicForked from automeris-io/WebPlotDigitizer
Online tool to extract numerical data from plot images.
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deepFMPOv3D
deepFMPOv3D PublicForked from giovanni-bolcato/deepFMPOv3D
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pg_smlar
pg_smlar PublicForked from evirma/pg_smlar
PostgreSQL 13 extension for an effective similarity search
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RegGNN
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Regression Graph Neural Network (regGNN) for cognitive score prediction.
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ligdream
ligdream PublicForked from playmolecule/ligdream
Novel molecules from a reference shape!
Jupyter Notebook
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- Img2Data Public Forked from automeris-io/WebPlotDigitizer
Online tool to extract numerical data from plot images.
Insilicall/Img2Data’s past year of commit activity - FragmentMapper Public
Insilicall/FragmentMapper’s past year of commit activity - cddd Public Forked from jrwnter/cddd
Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
Insilicall/cddd’s past year of commit activity - CalcpKa Public Forked from Xundrug/MolGpKa
The graph-convolutional neural network for pka prediction
Insilicall/CalcpKa’s past year of commit activity - megnet Public Forked from materialyzeai/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Insilicall/megnet’s past year of commit activity - deepFMPOv3D Public Forked from giovanni-bolcato/deepFMPOv3D
Implementation of Shape and Electrostatic similarity metric in deepFMPO.
Insilicall/deepFMPOv3D’s past year of commit activity - pg_smlar Public Forked from evirma/pg_smlar
PostgreSQL 13 extension for an effective similarity search
Insilicall/pg_smlar’s past year of commit activity - RegGNN Public Forked from basiralab/RegGNN
Regression Graph Neural Network (regGNN) for cognitive score prediction.
Insilicall/RegGNN’s past year of commit activity
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