Pinned Repositories
alphafold3
AlphaFold 3 inference pipeline.
alphafold_non_docker
AlphaFold2 non-docker setup
Coned-backtracking-distance-between-graphs
dscribe
DScribe is a python package for creating machine learning descriptors for atomistic systems.
EcoMath.jl
A julia library for analyzing ecological systems
ena
An Elastic Net Algorithm for the Traveling Salesman Problem
esm
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
giotto-tda
A high-performance topological machine learning toolbox in Python
grid
Python library for numerical (molecular) integration, interpolation, and differentiation.
pujaltes's Repositories
pujaltes/alphafold3
AlphaFold 3 inference pipeline.
pujaltes/alphafold_non_docker
AlphaFold2 non-docker setup
pujaltes/Coned-backtracking-distance-between-graphs
pujaltes/dscribe
DScribe is a python package for creating machine learning descriptors for atomistic systems.
pujaltes/EcoMath.jl
A julia library for analyzing ecological systems
pujaltes/ena
An Elastic Net Algorithm for the Traveling Salesman Problem
pujaltes/esm
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
pujaltes/giotto-tda
A high-performance topological machine learning toolbox in Python
pujaltes/grid
Python library for numerical (molecular) integration, interpolation, and differentiation.
pujaltes/GridCellTorus
pujaltes/li_et_al_cell_2018_melanoma_scrna
pujaltes/ModCompData
Repository to store data for Computational Methods in Neuroscience I & II assignments
pujaltes/Ripserer.jl
Flexible and efficient persistent homology computation.
pujaltes/scikit-learn
scikit-learn: machine learning in Python
pujaltes/umap
Uniform Manifold Approximation and Projection
pujaltes/intel-extension-for-pytorch
A Python package for extending the official PyTorch that can easily obtain performance on Intel platform
pujaltes/lit-GPT
Train and run GPTs with Lightning
pujaltes/metacell
Metacell - Single-cell mRNA Analysis
pujaltes/misato-dataset
pujaltes/openfold_mod
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
pujaltes/OpenMM-Plumed-MPI
pujaltes/orthopy
:triangular_ruler: Orthogonal polynomials in all shapes and sizes.
pujaltes/pytorch-lightning
Pretrain, finetune and deploy AI models on multiple GPUs, TPUs with zero code changes.
pujaltes/qe_density
pujaltes/quadpy
Numerical integration (quadrature, cubature) in Python
pujaltes/RoseTTAFold2
pujaltes/unam_scraper
pujaltes/unam_scraper_data