guimsilvaa

Postdoc in Computational Medicinal Chemistry

Harvard Medical School - BIDMCBoston, MA, USA

Pinned Repositories

descricalc
simple script to calculate molecular descriptors and fingerprints from smile's
Language:Python00
desmotools
Useful tools to build graphs and manipulate data outputted from Desmond
Language:Python00
fMDpocktools
tools to manipulate output files from fpocket and mdpocket
Language:Python00
imersao-dados-desafio-final
Projeto apresentado como desafio final do curso Imersão de Dados - 3ª Edição - ALURA, sob a temática Data Science & Drug Discovery
Language:Jupyter Notebook00
imersao_dados
Repository para apresentar resultados da minha participação no curso 'Imersão Dados 3ª Edição' ALURA
Language:Jupyter Notebook00
musicalc
MUlti SImilarity CALCulation
Language:Python0 1 00
RocsValidRoc
Automatic and interactive way to perform ROCS validation for one (or various) molecule(s) as query(ies) in 3D shape similarity.
Language:Python00
simiradar
tool to build similarity radar plots
00
standardaizer
Rapid Standardization for Databases
Language:Python00
topufa
TOol for handling with Pdb-Uniprot-Fasta conversion and Alignment
Language:Python00

guimsilvaa/descricalc
simple script to calculate molecular descriptors and fingerprints from smile's
Language:Python00
guimsilvaa/desmotools
Useful tools to build graphs and manipulate data outputted from Desmond
Language:Python00
guimsilvaa/fMDpocktools
tools to manipulate output files from fpocket and mdpocket
Language:Python00
guimsilvaa/imersao-dados-desafio-final
Projeto apresentado como desafio final do curso Imersão de Dados - 3ª Edição - ALURA, sob a temática Data Science & Drug Discovery
Language:Jupyter Notebook00
guimsilvaa/imersao_dados
Repository para apresentar resultados da minha participação no curso 'Imersão Dados 3ª Edição' ALURA
Language:Jupyter Notebook00
guimsilvaa/musicalc
MUlti SImilarity CALCulation
Language:Python0 1 00
guimsilvaa/RocsValidRoc
Automatic and interactive way to perform ROCS validation for one (or various) molecule(s) as query(ies) in 3D shape similarity.
Language:Python00
guimsilvaa/simiradar
tool to build similarity radar plots
00
guimsilvaa/standardaizer
Rapid Standardization for Databases
Language:Python00
guimsilvaa/topufa
TOol for handling with Pdb-Uniprot-Fasta conversion and Alignment
Language:Python00