mallanos

:argentina: Postdoctoral Researcher @forlilab :pill: :microscope:

The Scripps Research InstituteSan Diego, CA.

Pinned Repositories

SMAC3
SMAC3: A Versatile Bayesian Optimization Package for Hyperparameter Optimization
Language:Python1.1k 42 534219
ufedmm
Unified Free Energy Dynamics (UFED) simulations with OpenMM
Language:Python23 3 58
cosolvkit
CosolvKit is a versatile tool for cosolvent MD preparation and analysis
Language:Python6 5 230
Ringtail
Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
Language:Python36 10 285
scrubber
Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock
Language:Python5 6 22
SOMoC-v1.0
Language:Python1 1 03
deploying-machine-learning-models
Code for the online course "Deployment of Machine Learning Models"
Language:Jupyter Notebook0 0 00
freqtrade
Free, open source crypto trading bot
Language:Python0 0 00
SOMoC-v1.0
Language:Python0 0 00
pyreweighting
Language:Python25 1 46

mallanos's Repositories

mallanos/deploying-machine-learning-models
Code for the online course "Deployment of Machine Learning Models"
Language:Jupyter Notebook0 0 00
mallanos/freqtrade
Free, open source crypto trading bot
Language:Python0 0 00
mallanos/SOMoC-v1.0
Language:Python0 0 00