Cambridge, UK

José Jiménez-Luna

Advanced
@josejimenezluna

Driving drug discovery one gradient update at a time.

josejimenezluna.github.io/

pyGPGO. Bayesian optimization for Python

246

delfta. Δ-QML for medicinal chemistry

111

nnet-ts. Neural network architecture for time series forecasting.

108

molgrad. Supporting code for doi 10.1021/acs.jcim.0c01344

23

xaibench_tf. Supporting models and data to doi 10.1021/acs.jcim.1c01163

15

ClassImbalanceRedux. Python class for training models on imbalanced data using bagging over balanced samples.

10

abodoutlier. Angle-based outlier detection

6

odseq. Outlier detection in multiple sequence alignment

4
8
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