Pinned Repositories
molfeat
molfeat - the hub for all your molecular featurizers
chempfn
Ensemble-based, size-agnostic wrapper for the TabPFN classifier
chemxor
Privacy preserving machine learning for small molecule data
compound-embedding
Compound embedding obtained with few-shot learning (FS-Mol), Morgan fingerprints, Grover embeddings, and Mordred descriptors
eos2v11
ADMETlab 2 for systematic evaluation of ADMET properties
ersilia
The Ersilia Model Hub, a repository of AI/ML models for infectious and neglected disease research.
event-fund-ai-drug-discovery
Coding and data materials for the Event Fund AI for Drug Discovery Course
zaira-chem
Automated QSAR based on multiple small molecule descriptors
model-validation-example
This is an example of the model validation repository for the Outreachy contributors 2024
Resources
Resources made available under CC-BY 4.0 by Kairoi
GemmaTuron's Repositories
GemmaTuron/model-validation-example
This is an example of the model validation repository for the Outreachy contributors 2024
GemmaTuron/Resources
Resources made available under CC-BY 4.0 by Kairoi