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Scikit-learn compatible library for molecular fingerprints and chemoinformatics
A very fast visualization library for large, high-dimensional data sets.
A curated list of Cheminformatics libraries and software.
Pathology Foundation Model - Nature Medicine
A LaTeX / XeLaTeX / LuaLaTeX PhD thesis template for Cambridge University Engineering Department (CUED)
A LaTeX document class that conforms to the Computer Laboratory's PhD thesis formatting guidelines.
A simple Python package to visualize and explain RDKit SlogP_VSA, SMR_VSA, EState_VSA, VSA_EState descriptor and atomic contributions
Official Implementation of LaViDa: :A Large Diffusion Language Model for Multimodal Understanding
Official repository for the Boltz biomolecular interaction models
Some useful RDKit functions
Practical Cheminformatics Blog Posts
Graph Neural Network Library for PyTorch
Supporting code for the paper "Discovery of a structural class of antibiotics with explainable deep learning"
Message Passing Neural Networks for Molecule Property Prediction
The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.
Supporting code for the paper "Discovering senolytics with deep learning"
An open-source Python library for the analysis of luminescence lifetime and hyperspectral images using the phasor approach.
Read and write PicoQuant PTU and related files (PHU, PCK, PCO, PFS, PUS, PQRES, PQDAT, PQUNI, SPQR, and BIN).
Build your chess opening repertoire, one move at a time!
A personal implementation of YOLOv5 (v6.0)
Analyze fluorescence lifetime imaging FLIM files (.R64, .ref) effortlessly. Masking, cell segmentation, pH correlation, nanoscale effects, and precise quantification. Versatile for various research…
Python Module to do Hypespectral Imaging Analysis using phasor
Your self-hosted, globally interconnected microblogging community
machine learning based lung cancer classification using autofluorescence lifetime microscopic images