josejimenezluna Goto Github PK
Name: José Jiménez-Luna
Type: User
Company: @MicrosoftResearch
Bio: Driving drug discovery one gradient update at a time.
Twitter: josejimlun
Location: Cambridge, UK
José Jiménez-Luna's Projects
abodoutlier
Angle-based outlier detection
asap
Fast and accurate Active SAmpling method for Pairwise comparisons
classimbalanceredux
Python class for training models on imbalanced data using bagging over balanced samples.
delfta
Δ-QML for medicinal chemistry
equibind
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
graph-attribution
Codebase for Evaluating Attribution for Graph Neural Networks.
guacamol_baselines
Baselines models for GuacaMol benchmarks
htmd
High throughput molecular dynamics simulations
josejimenezluna.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
mcmc-cipher-solver
Decrypts ciphertext using a Markov Chain Monte Carlo method
mcmc_tfg
Repositorio del código adjunto al TFG de Markov Chain Monte Carlo.
molgrad
Supporting code for doi 10.1021/acs.jcim.0c01344
nnet-ts
Neural network architecture for time series forecasting.
odseq
Outlier detection in multiple sequence alignment
paharofrac
Pa manejar pagos
programacion-c-clase1
Curso de programación en C
programacion-c-clase2
Material 2 Clase
programacion-c-clase3
Material 3 Clase
programacion-c-clase4
Material 4 Clase
programacion-c-clase5
Material 5 Clase
programacion-c-clase6
Material 6 Clase
pygpgo
Bayesian optimization for Python
pyplif
Automatically exported from code.google.com/p/pyplif
simple_apriori
Simple implementation of the a-priori algorithm using python. No external libraries required.
sparsematrixtools
Sparse Matrix operation tools
webbd
Repo de gcn.us.es
xaibench_tf
Supporting models and data to doi 10.1021/acs.jcim.1c01163
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