bolak92
CompChem Scientist/PhD-candidate @johnsonandjohnson and @ULeiden NL Interested in AI-driven Drug Discovery & Cheminformatics
Johnson & Johnson and Leiden UniversityBelgium
bolak92's Stars
microsoft/graphrag
A modular graph-based Retrieval-Augmented Generation (RAG) system
DS4SD/docling
Get your documents ready for gen AI
Future-House/paper-qa
High accuracy RAG for answering questions from scientific documents with citations
scikit-learn-contrib/MAPIE
A scikit-learn-compatible module to estimate prediction intervals and control risks based on conformal predictions.
aangelopoulos/conformal-prediction
Lightweight, useful implementation of conformal prediction on real data.
valeman/awesome-conformal-prediction
A professionally curated list of awesome Conformal Prediction videos, tutorials, books, papers, PhD and MSc theses, articles and open-source libraries.
yromano/cqr
Conformalized Quantile Regression
polaris-hub/polaris
Foster the development of impactful AI models in drug discovery.
geometric-intelligence/TopoBenchmark
TopoBenchmark is a Python library designed to standardize benchmarking and accelerate research in Topological Deep Learning
huankoh/PSICHIC
PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data
ml-jku/UPT
Code for the paper Universal Physics Transformers
rinikerlab/lightweight-registration
huyng/incertae
Code for MC Dropout and Model Ensembling Uncertainty Estimate experiments
valence-labs/OpenQDC
Repository of Quantum Datasets Publicly Available
mims-harvard/SPECTRA
SPECTRA: Spectral framework for evaluation of biomedical AI models
NTU-MedAI/MolFrag
Obtain and organize all feasible fragmentation of molecular methods
deepskies/DeeplyUncertain-Public
Novartis/UNIQUE
A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.
novonordisk-research/pepfunn
Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
polaris-hub/polaris-method-comparison
Experiments for the method comparison paper.
syedmfuad/awesome-conformal-prediction
A curated list of awesome Conformal Prediction videos, tutorials, books, papers, articles and open-source libraries.
meyresearch/BALM
Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models
zhangruochi/pepland
ml-jku/DNA-xLSTM
molML/peptidy
ml-jku/Prot-xLSTM
ml-jku/Chem-xLSTM
zhaisilong/awesome-peptide
List of papers about Peptide research using Deep Learning
uncertainty-toolbox/simple-uq
Uncertainty quantification models implemented simply and cleanly.
sunjiangming/MCP
Applying Mondrian Cross-Conformal Prediction to Estimate Prediction Confidence on Large Imbalanced Bioactivity Datasets