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Schrödinger, Inc.
- New York, NY
- https://martinvoegele.github.io/
- @martinvoegele.bsky.social
- in/martin-voegele
Highlights
- Pro
Pinned Loading
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drorlab/pensa
drorlab/pensa PublicPENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
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bio-phys/memdiff
bio-phys/memdiff PublicImplementation of corrections for diffusion coefficients in membrane simulations.
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drorlab/GPCR-mining
drorlab/GPCR-mining PublicFunctions to scrape GPCR data from the web.
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bio-phys/cnt-gaff
bio-phys/cnt-gaff PublicBuild atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.
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bio-phys/cnt-martini
bio-phys/cnt-martini PublicGenerates Martini models for open carbon nanotubes to use with Gromacs.
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Schrödinger, Inc.
- New York, NY
- https://martinvoegele.github.io/
- @martinvoegele.bsky.social
- in/martin-voegele
Highlights
- Pro
Pinned Loading
-
drorlab/pensa
drorlab/pensa PublicPENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
-
-
bio-phys/memdiff
bio-phys/memdiff PublicImplementation of corrections for diffusion coefficients in membrane simulations.
-
drorlab/GPCR-mining
drorlab/GPCR-mining PublicFunctions to scrape GPCR data from the web.
-
bio-phys/cnt-gaff
bio-phys/cnt-gaff PublicBuild atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.
-
bio-phys/cnt-martini
bio-phys/cnt-martini PublicGenerates Martini models for open carbon nanotubes to use with Gromacs.
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