capoe

Pinned Repositories

benchml
ML benchmarking and pipeling framework
Language:Jupyter Notebook15 5 136
earth_gps_webgl
GPU-accelerated visualisation of GPS trajectories
Language:JavaScript0 1 00
espressopp.soap
soap++ hosted by espresso++
Language:C++0 2 00
gylmxx
Standalone soapxx submodule implementing Gn(l)-Ylm convolutions
Language:C++1 1 00
inxpdf
Turns annotated inkscape svg-files into presentable slides.
Language:Python0 1 00
libpqr
Bias-controlled 3D generative framework for structure-based ligand design
Language:Python17 2 11
librmt
Language:Python0 1 00
momo
Python interface for OS operations: command-line and XML options, logging, file-system operations.
Language:Python0 1 00
nphil
Nonparametric feature network filtering
Language:Python1 1 01
soapxx
Language:Python7 3 23

capoe's Repositories

capoe/libpqr
Bias-controlled 3D generative framework for structure-based ligand design
Language:Python17 2 11
capoe/benchml
ML benchmarking and pipeling framework
Language:Jupyter Notebook15 5 136
capoe/soapxx
Language:Python7 3 23
capoe/gylmxx
Standalone soapxx submodule implementing Gn(l)-Ylm convolutions
Language:C++1 1 00
capoe/nphil
Nonparametric feature network filtering
Language:Python1 1 01
capoe/earth_gps_webgl
GPU-accelerated visualisation of GPS trajectories
Language:JavaScript0 1 00
capoe/espressopp.soap
soap++ hosted by espresso++
Language:C++0 2 00
capoe/inxpdf
Turns annotated inkscape svg-files into presentable slides.
Language:Python0 1 00
capoe/librmt
Language:Python0 1 00
capoe/momo
Python interface for OS operations: command-line and XML options, logging, file-system operations.
Language:Python0 1 00
capoe/pytorch_geometric
Graph Neural Network Library for PyTorch