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metabolitos_descriptors

Recopilación de descriptores químicos de metabolitos en plantas peruanas con propiedades medicinales, obtenidos con padel, rdkit 2d y 3d

metaldock

Dock organometallic compounds to proteins/DNA/biomolecules

ml_no_supervisado

molecular_music

Freq, ML, music

mpro_desde2020

4750 PDB ID del PDB RCSB

mpro_fc_uni

ohtd_pointgroup_qmtm_ccdc

ona_book

Handbook of Graphs and Networks in People Analytics

opsin

Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion

pandas-videos

Jupyter notebook and datasets from the pandas Q&A video series

pc1

pd93rdkt147rdkt11

pneumonia_mnist_cl2

ppqm

Enable cheminformatics and quantum chemistry

pqsar2cpd

pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.

primordia1.0v

PRIMoRDiA 1.0v source repository, executable built for Linux x86_64 machines and user guide

puquna_2023

puquna_matematica

Este repositorio contiene material para repasar ejercicios de razonamiento matemático, algebra, aritmética, etc. usando python.

python_quantum_chemistry_introductory

The files used for Series: Quantum chemistry calculations with python

qmof

The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.

quitar_fondo_cambiar_fondo_imagenes

Código con instrucciones en español para quitar o cambiar fondos en imágenes usando python

r4chem

rbook

Source files for "Learning Statistics with R"

reconocimiento_de_patrones

recurrent-neural-networks

Learning about and doing projects with recurrent neural networks

redes_neuronales_keras

scikit-learn-videos

Jupyter notebooks from the scikit-learn video series

selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

seminario

Tool to compute bond and angle force field parameters with the Seminario method

siderophores_database