Keisuke Tajima·Mar 10Printing Molecules: Building Interactive Molecular Models with a 3D PrinterA small Python tool called “molfidget” turns molecular structure files into rotatable 3D-printed molecular models.A response icon1A response icon1
Genta P Bayu·Oct 23, 2025ChemFIE: Pretraining A Lightweight SELFIES-based BERT (Part 1)A Hands-on Learning Journey
Giuseppe Marco Randazzo·Sep 15, 2024How I Automated Multiple Ligand Docking with Autodock/Vina and Why You Should TooIn 2017, I faced a daunting task: performing multiple docking simulations on a single target protein. As a researcher in computational drug…
InScience SpectrumbyMansi Bhandari·Jan 5, 2024Aquaporins using the VMD Multiseq ToolA response icon2A response icon2
Nexco Analytics·Nov 13, 2023What’s next in molecular modeling of proteins and biological systems after AlphaFold?And the latest news from CASP15, the Critical Assessment of Structure Prediction competition
Giuseppe Marco Randazzo·Mar 16, 2023Why do Partial Least Squares (PLS) Still Deserve Attention Today?Introduction
Faisal Sharif·Mar 10, 2023Bio-molecular Dynamics (Molecular Modeling System)Useful Molecular Dynamics or Molecular Modeling Software
Giuseppe Marco Randazzo·Dec 29, 2022Why you should consider Consensus Principal Component Analysis to analyze tensor data forms.IntroductionA response icon1A response icon1
Chithra Srinivasan·Feb 21, 2022Molecular Deep Learning using DeepChemI vividly remember my high school Chemistry teacher teaching us about covalent bonds using a 3D model of a water molecule. I also remember…
Gabriela Araujo·Jun 24, 2021Da modelagem molecular para o mundo dos dadosHá dois meses venho buscando conhecimento na área de Data Science. E há exatos 6 meses sequer nunca tinha ouvido falar da área. Foi então…
