lucyjimenez Goto Github PK

asv

Airspeed Velocity: A simple Python benchmarking tool with web-based reporting

awesome-python-chemistry

A curated list of Python packages related to chemistry

basic_simulation_training

A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations (oriented towards molecular dynamics (MD)), providing some training itself and linking out to other helpful information elsewhere. The intent is that this provide information on the prerequisites which will be required for understanding/following many of the other "best practices" documents being prepared.

binder-notebook

Notebooks for interactive use on https://mybinder.org/

bioinfo_unq

chemical_vae

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

cuml

cuML - RAPIDS Machine Learning Library

cybercolombia-se-2021

dataschool-py1

Archivos de acompañamiento del día 1 del #DataSchool

dataschool-py2

Archivos de acompañamiento del día 2 del #DataSchool

dataschool-py3

Archivos de acompañamiento del día 3 del #DataSchool

demo-bank-customer-churn

Demo DVC project training a classification model on tabular data

disc-unconference-2023-projects

Project outputs for the DISC Unconference 2023

ds_test

embo-24-genome-sequencing

event-transcripts

transcripts from our recorded events

fragmenstein

Scaffold hopping between bound compounds by stitching them together like a reanimated corpse.

graphein

Protein Graph Library

jax-unirep

Reimplementation of the UniRep protein featurization model.

lucyjimenez

portfolio

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

mdanalysis_workshop

Workshop - Analysis of Molecular Dynamics Simulation Using Python

ml-talks.github.io

mmcolombia.github.io

Webpage Modelamiento Molecular Colombia

moleculartransformer

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

pandas

Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more

prueba

web

pyladies

PyLadies is a global mentorship group focused on helping more marginalized genders become active participants & leads in the Python open-source community.

pymc

Probabilistic Programming in Python: Bayesian Modeling and Probabilistic Machine Learning with Aesara