Repositories list

• docktprep

  Public
  Create DockThor input files from PDB, mmCIF and MOL2 formats. Prepare and fix common issues in the PDB files.

  Python

  •

  GNU Lesser General Public License v3.0

  •0•1•2•0•Updated Dec 4, 2024Dec 4, 2024

• emmsb-recursos

  Public
  Repositório para materiais e documentos relevantes usados na XI EMMSB.

  Jupyter Notebook

  •1•11•0•0•Updated Sep 3, 2024Sep 3, 2024

• .github

  Public
  0•0•0•0•Updated Aug 8, 2024Aug 8, 2024

• generative-optim

  Public
  Multi- and many-objective optimization in generative chemistry model latent spaces.

  gpugenetic-algorithmmultiobjective-optimization+ 1generative-chemistry

  Python

  •0•3•0•0•Updated May 10, 2024May 10, 2024

• docktgrid

  Public
  Generate customized voxel representations of protein-ligand complexes using GPU.

  deep-learningscoring-functionsvirtual-screening+ 3voxel-gridmolecular-dockingbinding-affinity

  Python

  •

  GNU Lesser General Public License v3.0

  •2•9•0•0•Updated May 7, 2024May 7, 2024

• CoV-2

  Public
  Obtaining protein sequences, building datasets, examining the effects of non-synonymous changes, and using multiple sequence alignment on the SARS-CoV-2 Spike protein.

  Python

  •0•1•0•0•Updated Feb 5, 2024Feb 5, 2024