DrrDom

Olomouc, Czech Republic

Pinned Repositories

chemicalite-scripts
Useful scripts to manipulate SQLite chemical databases
Language:Python6 2 13
crem
CReM: chemically reasonable mutations framework
Language:Jupyter Notebook202 7 2138
plants-scripts
scripts to work with PLANTS docking software and its output
Language:Python2 2 01
pmapper
3D pharmacophore signatures and fingerprints
Language:Python101 6 924
ProLIF
Interaction Fingerprints for protein-ligand complexes and more
Language:Python1 0 00
rdkit-scripts
rdkit scripts making life easier
Language:Python57 8 324
rspci
Analysis of fragments contributions calculated by SPCI software
Language:R2 3 03
s4mple
Python scripts to handle S4MPLE docking output
Language:Python1 2 00
sirms
Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors
Language:Python13 5 010
spci
Tool for mining structure-property relationships from chemical datasets
Language:Python16 2 33

DrrDom's Repositories

DrrDom/crem
CReM: chemically reasonable mutations framework
Language:Jupyter Notebook202 7 2138
DrrDom/pmapper
3D pharmacophore signatures and fingerprints
Language:Python101 6 924
DrrDom/rdkit-scripts
rdkit scripts making life easier
Language:Python57 8 324
DrrDom/spci
Tool for mining structure-property relationships from chemical datasets
Language:Python16 2 33
DrrDom/sirms
Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors
Language:Python13 5 010
DrrDom/chemicalite-scripts
Useful scripts to manipulate SQLite chemical databases
Language:Python6 2 13
DrrDom/plants-scripts
scripts to work with PLANTS docking software and its output
Language:Python2 2 01
DrrDom/rspci
Analysis of fragments contributions calculated by SPCI software
Language:R2 3 03
DrrDom/ProLIF
Interaction Fingerprints for protein-ligand complexes and more
Language:Python1 0 00
DrrDom/s4mple
Python scripts to handle S4MPLE docking output
Language:Python1 2 00
DrrDom/spci-ext
scripts for structural interpretation of QSAR models
Language:Python1 2 01
DrrDom/pfpp
Package of personal R functions
Language:R0 2 00
DrrDom/dimorphite_dl
Dimorphite-DL adds hydrogen atoms to molecular representations, as appropriate for a user-specified pH range. It is a fast, accurate, accessible, and modular open-source program for enumerating small-molecule ionization states.
Language:Python0 0
DrrDom/pkasolver
toolkit for prediction pKa values of small molecules via graph convolutional networks
Language:Jupyter Notebook0 0
DrrDom/r-shiny-challenge-app
The shiny app to support challenges/competitions
Language:HTML2 0
DrrDom/rdk
RDKit scripts
Language:Python3 0
DrrDom/rdkit
The official sources for the RDKit library
Language:HTML2 0

DrrDom

Pinned Repositories

chemicalite-scripts

crem

plants-scripts

pmapper

ProLIF

rdkit-scripts

rspci

s4mple

sirms

spci

DrrDom's Repositories

DrrDom/crem

DrrDom/pmapper

DrrDom/rdkit-scripts

DrrDom/spci

DrrDom/sirms

DrrDom/chemicalite-scripts

DrrDom/plants-scripts

DrrDom/rspci

DrrDom/ProLIF

DrrDom/s4mple

DrrDom/spci-ext

DrrDom/pfpp

DrrDom/dimorphite_dl

DrrDom/pkasolver

DrrDom/r-shiny-challenge-app

DrrDom/rdk

DrrDom/rdkit