MelchorSanchez

Melchor S.'s repositories

blog_post_example_scripts

Compilation of small example scripts to complement blog posts

Language:Python5 20

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.

Language:Jupyter NotebookMIT200

autodE

automated reaction profile generation

Language:PythonMIT010

ChEMBL_Structure_Pipeline

ChEMBL database structure pipelines

Language:PythonMIT010

first_streamlit_app

Language:Python020

gptchem

Language:Jupyter NotebookMIT000

MaxEnt

Language:PythonGPL-2.0030

MelchorSanchez.github.io

Personal Webpage

Language:JavaScriptMIT01 2

pdb-tools

A dependency-free cross-platform swiss army knife for PDB files.

Language:PythonApache-2.0000

pdbtools

A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files

Language:PythonGPL-3.0000

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

Language:PythonGPL-2.0010

psikit

psi4+RDKit

Language:PythonBSD-3-Clause000

resumenesdefutbol.github.io

Source code of webblog about premier league ad spanish la liga

Language:JavaScriptMIT020

SynthI

Open-source tool for synthons-based library design.

000

torsional-diffusion

Implementation of Torsional Diffusion for Molecular Conformer Generation

MIT000