Helena Martín Hernández's repositories
awesome-dash
A curated list of awesome Dash (plotly) resources
BigData_AI_DrugDiscovery
A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks.
docker_files
Repository storing a variety of Docker files.
Energy-Analysis-Exercise
To evaluate the relative contribution of interface residues to the interaction energy in a protein-protein complex
frag_pele
FrAG, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand conformational space
ganhacks
starter from "How to Train a GAN?" at NIPS2016
hemahecodes.github.io
Af Set
mercury
Mercury: easily convert Python notebook to web app and share with others
MPI
My first MPI programs!
openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
OpenMP
Collection of OpenMP programs!
pele_platform
Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]
Phylogenetic_Analysis
Codes to analyze phylogenetic trees!
PPP
Protein Preparation for PELE
Racing-Car-Katas
Several code katas on a racing car theme
rdkit_blog
RDKit related blog posts, notebooks, and data.
stanford-cs-229-machine-learning
VIP cheatsheets for Stanford's CS 229 Machine Learning