Ben PerryA Tech Stack for the Modern Biotech ML Researcher — Part I: Transitioning from Wet Lab to AI.Learning to go from wet lab to dry lab in the age of computingAug 11
Koki NodaHands-on Graph Neural Networks with PyTorch Geometric (4): Solubility Prediction with GCNIn this article, we explore practical applications of Graph Neural Networks (GNNs) with PyTorch Geometric. In this fourth installment, we…Mar 31
Tatsuya KoreedainSnowflake EngineeringIn Silico Drug Discovery using Streamlit and Snowflake Notebooks with SnowflakeIntroductionJul 19Jul 19
SulsticeRetrosynthesis Artificial IntelligenceRetrosynthesis is the art of taking a complex molecule and figuring out how to make it from working backwards by fragmenting the molecule…Mar 271Mar 271
Ben PerryA Tech Stack for the Modern Biotech ML Researcher — Part I: Transitioning from Wet Lab to AI.Learning to go from wet lab to dry lab in the age of computingAug 11
Koki NodaHands-on Graph Neural Networks with PyTorch Geometric (4): Solubility Prediction with GCNIn this article, we explore practical applications of Graph Neural Networks (GNNs) with PyTorch Geometric. In this fourth installment, we…Mar 31
Tatsuya KoreedainSnowflake EngineeringIn Silico Drug Discovery using Streamlit and Snowflake Notebooks with SnowflakeIntroductionJul 19
SulsticeRetrosynthesis Artificial IntelligenceRetrosynthesis is the art of taking a complex molecule and figuring out how to make it from working backwards by fragmenting the molecule…Mar 271
QueenCheminformatics 101: A Dummy Introduction to CheminformaticsCheminformatics (also referred to as – Chemoinformatics) — Simply Chemistry (a branch of physical science, which deals with everything…Feb 16
Huy PhamBuilding a Machine Learning Model for Predicting Molecular Properties with sk-chemThis blog post will guide you through using sk-chem, a python library that provides a scikit-learn interface for cheminformatics tasks…Jul 101
SulsticeValidating SMILES with RDKit, PySMILES, MolVS, and PartialSMILESI wanted to see the performance of the SMILES I wrote in GlobalChem to see how well different algorithms of validation perform on a common…Mar 22, 2022
