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National Laboratory for Scientific Computing (LNCC/MCTI)
- Rio de Janeiro, Brazil
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20:43
(UTC -12:00) - mpds.github.io
- https://orcid.org/0000-0002-0659-6365
Highlights
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gmmsb-lncc/docktgrid
gmmsb-lncc/docktgrid PublicGenerate customized voxel representations of protein-ligand complexes using GPU.
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gmmsb-lncc/docktdeep
gmmsb-lncc/docktdeep PublicCNN-based protein-ligand scoring function.
Python 5
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gmmsb-lncc/generative-optim
gmmsb-lncc/generative-optim PublicMulti- and many-objective optimization in the latent space of generative chemistry models.
Python 5
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