HIbrahim's starred repositories
chemistry_drawer
Draw molecules with plotly!
formulation_tasks
support for the formulation group in DP development
formulation
Formulation prediction on potential active pharmaceutical ingredients
bioservices
Access to Biological Web Services from Python.
Pras_Server
Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by amide-amide interactions of the backbone
useful_rdkit_utils
Some useful RDKit functions
Biostatistics
Basic Statistics for Biologist
PyQtDarkTheme
A flat dark theme for PySide and PyQt.
pdbe-api-training
Interactive Python notebooks for PDBe API training
chemometrics
Binder repo for chemometrics exercises
ai4chem_course
EPFL CH-457 "AI for chemistry"
OpenSourceMolecularModeling.github.io
Catalog of Open Source Molecular Modeling Projects
qsar-tools
Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
openmm-cookbook
The OpenMM Cookbook and Tutorials
SciencePlots
Matplotlib styles for scientific plotting
multibind-publication-code
Repository for the code used in the multibind paper
3D-Generative-SBDD
💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)