Pinned Repositories
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
membrane-curvature
MDAnalysis tool to calculate membrane curvature.
cookiecutter-analysis
Cookiecutter repo for MD analysiS -standalone-.
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
dvc-dd-pipelines
Pydata NYC 2022 DVC in Drug Discovery pipelines talk
ExploratoryDataAnalysis101
Reviewing the basics
fairlearn
A Python package to assess and improve fairness of machine learning models.
Langevin-dynamics
Langevin equation for organelle transport with and w/o molecular motors.
Latex-poster-template
Poster template in Latex. (Or if you wanna go fancy)
ojeda-e's Repositories
ojeda-e/dvc-dd-pipelines
Pydata NYC 2022 DVC in Drug Discovery pipelines talk
ojeda-e/Langevin-dynamics
Langevin equation for organelle transport with and w/o molecular motors.
ojeda-e/Latex-poster-template
Poster template in Latex. (Or if you wanna go fancy)
ojeda-e/cookiecutter-analysis
Cookiecutter repo for MD analysiS -standalone-.
ojeda-e/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
ojeda-e/ExploratoryDataAnalysis101
Reviewing the basics
ojeda-e/fairlearn
A Python package to assess and improve fairness of machine learning models.
ojeda-e/Fokker-Planck
Numerical solution of the Fokker-Planck equation in large times using CUDA/C.
ojeda-e/gflownet
GFlowNet library specialized for graph & molecular data
ojeda-e/Insane
INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
ojeda-e/ipynb_slides
ojeda-e/lipyds
ojeda-e/lrg-omics
ojeda-e/matplotlib
matplotlib: plotting with Python
ojeda-e/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
ojeda-e/MDAnalysis.github.io
MDAnalysis home page mdanalysis.org as GitHub pages.
ojeda-e/mlflow
Open source platform for the machine learning lifecycle
ojeda-e/ojeda-e.github.io
Personal GitHub webpage. Reads better with coffee.
ojeda-e/old.ojeda-e.github.io
Personal GitHub webpage. Reads better with coffee.
ojeda-e/orient_output
ojeda-e/ProDy
A Python Package for Protein Dynamics Analysis
ojeda-e/python-aiplatform
A Python SDK for Vertex AI, a fully managed, end-to-end platform for data science and machine learning.
ojeda-e/rust-ctor
Module initialization/global constructor functions for Rust
ojeda-e/scikit-learn
scikit-learn: machine learning in Python
ojeda-e/scipy
SciPy library main repository
ojeda-e/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
ojeda-e/toothbrush
Molecule Sanitization, Validation and Standardization
ojeda-e/torchdrug
A powerful and flexible machine learning platform for drug discovery
ojeda-e/UserGuide
User Guide for MDAnalysis (GSoD Project)
ojeda-e/WorkshopPrace2021
Materials for the 2021 PRACE Workshop @ SurfSARA