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📈 Uptime monitor and status page for Suliman Sharif, powered by @upptime
The Role of Model Architecture and Scale in Predicting Molecular Properties: Insights from Fine-Tuning RoBERTa, BART, and LLaMA
Generate Dose-Response Curves in Python
Virtual chemistry simultaion. Visualization of the behavior of particles in two-dimensional and three-dimensional space.
Therapeutics Commons: Artificial Intelligence Foundation for Therapeutic Science
The official sources for the RDKit library
A C++ implementation of an OFDFT based molecular force field model.
Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.
Universal cheminformatics toolkit, utilities and database search tools
A computational chemistry tool kit including file handling and molecular manipulation tools.
All in one Structure-Based Vitual Screening workflow based on the concept of consensus docking.
Experimental design and (multi-objective) bayesian optimization.
Génération de guides de cages moléculaires
🔬📚 Galaxy Tool wrappers
The LoCoHD metric for protein-protein structure comparison
Jeremy Monat chemistry, cheminformatics software development portfolio
Molecular graph deep sets learning for mixture property modeling.
Automating HPLC data analysis in Python
Tutoriais sobre Python, Aprendizado de Máquina e Quiminformática (em português)
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