MelchorSanchez
Molecules hunter using computers. Computational Chemistry, Cheminformatics and Data Science.
@ZIFODS
Pinned Repositories
autodE
automated reaction profile generation
blog_post_example_scripts
Compilation of small example scripts to complement blog posts
ChEMBL_Structure_Pipeline
ChEMBL database structure pipelines
first_streamlit_app
gptchem
Jupyter_Dock
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
MaxEnt
MelchorSanchez.github.io
Personal Webpage
pdb-tools
A dependency-free cross-platform swiss army knife for PDB files.
pdbtools
A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files
MelchorSanchez's Repositories
MelchorSanchez/blog_post_example_scripts
Compilation of small example scripts to complement blog posts
MelchorSanchez/Jupyter_Dock
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
MelchorSanchez/autodE
automated reaction profile generation
MelchorSanchez/ChEMBL_Structure_Pipeline
ChEMBL database structure pipelines
MelchorSanchez/first_streamlit_app
MelchorSanchez/gptchem
MelchorSanchez/MaxEnt
MelchorSanchez/MelchorSanchez.github.io
Personal Webpage
MelchorSanchez/pdb-tools
A dependency-free cross-platform swiss army knife for PDB files.
MelchorSanchez/pdbtools
A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files
MelchorSanchez/plip
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Salentin et al. (2015), https://www.doi.org/10.1093/nar/gkv315
MelchorSanchez/psikit
psi4+RDKit
MelchorSanchez/resumenesdefutbol.github.io
Source code of webblog about premier league ad spanish la liga
MelchorSanchez/SynthI
Open-source tool for synthons-based library design.
MelchorSanchez/torsional-diffusion
Implementation of Torsional Diffusion for Molecular Conformer Generation