Highlights
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ojeda-e.github.io Public
Personal GitHub webpage. Reads better with coffee.
HTML Other UpdatedJun 20, 2024 -
python-aiplatform Public
Forked from googleapis/python-aiplatformA Python SDK for Vertex AI, a fully managed, end-to-end platform for data science and machine learning.
Python Apache License 2.0 UpdatedApr 18, 2024 -
staged-recipes Public
Forked from conda-forge/staged-recipesA place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python BSD 3-Clause "New" or "Revised" License UpdatedJan 6, 2024 -
mlflow Public
Forked from mlflow/mlflowOpen source platform for the machine learning lifecycle
Python Apache License 2.0 UpdatedDec 12, 2023 -
mdanalysis Public
Forked from MDAnalysis/mdanalysisMDAnalysis is a Python library to analyze molecular dynamics trajectories.
Python Other UpdatedAug 1, 2023 -
ProDy Public
Forked from prody/ProDyA Python Package for Protein Dynamics Analysis
Python Other UpdatedJul 31, 2023 -
matplotlib Public
Forked from matplotlib/matplotlibmatplotlib: plotting with Python
Python UpdatedJul 18, 2023 -
gflownet Public
Forked from recursionpharma/gflownetGFlowNet library specialized for graph & molecular data
Python MIT License UpdatedMay 27, 2023 -
dvc-dd-pipelines Public
Pydata NYC 2022 DVC in Drug Discovery pipelines talk
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rust-ctor Public
Forked from mmastrac/rust-ctorModule initialization/global constructor functions for Rust
Rust Apache License 2.0 UpdatedOct 25, 2022 -
deepchem Public
Forked from deepchem/deepchemDemocratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Python MIT License UpdatedJul 30, 2022 -
scipy Public
Forked from scipy/scipySciPy library main repository
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 29, 2022 -
torchdrug Public
Forked from DeepGraphLearning/torchdrugA powerful and flexible machine learning platform for drug discovery
Python Apache License 2.0 UpdatedJul 18, 2022 -
UserGuide Public
Forked from MDAnalysis/UserGuideUser Guide for MDAnalysis (GSoD Project)
Python UpdatedMay 29, 2022 -
scikit-learn Public
Forked from scikit-learn/scikit-learnscikit-learn: machine learning in Python
Python BSD 3-Clause "New" or "Revised" License UpdatedApr 5, 2022 -
old.ojeda-e.github.io Public
Forked from mmistakes/minimal-mistakesPersonal GitHub webpage. Reads better with coffee.
JavaScript MIT License UpdatedMar 9, 2022 -
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fairlearn Public
Forked from fairlearn/fairlearnA Python package to assess and improve fairness of machine learning models.
Python MIT License UpdatedDec 13, 2021 -
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MDAnalysis.github.io Public
Forked from MDAnalysis/MDAnalysis.github.ioMDAnalysis home page mdanalysis.org as GitHub pages.
CSS UpdatedSep 4, 2021 -
lipyds Public
Forked from lilyminium/lipydsPython GNU Lesser General Public License v3.0 UpdatedAug 19, 2021 -
Insane Public
Forked from Tsjerk/InsaneINSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
Python GNU General Public License v2.0 UpdatedJul 7, 2021 -
WorkshopPrace2021 Public
Forked from MDAnalysis/WorkshopPrace2021Materials for the 2021 PRACE Workshop @ SurfSARA
Jupyter Notebook Other UpdatedJul 1, 2021 -
Fokker-Planck Public
Numerical solution of the Fokker-Planck equation in large times using CUDA/C.
Cuda UpdatedApr 15, 2021 -
Langevin-dynamics Public
Langevin equation for organelle transport with and w/o molecular motors.
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Latex-poster-template Public
Poster template in Latex. (Or if you wanna go fancy)
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cookiecutter-analysis Public
Forked from MolSSI/cookiecutter-cmsCookiecutter repo for MD analysiS -standalone-.
Python MIT License UpdatedDec 14, 2020 -
toothbrush Public
Forked from mcs07/MolVSMolecule Sanitization, Validation and Standardization
Python MIT License UpdatedApr 16, 2020 -