Sawan KumarAsking Brilliant Questions in Seminars: A Path to Deeper Engagement“I am always fascinated by how certain individuals at large seminars or even during simple project update presentations, seem to…Oct 2
Hossein GhorbanfekrWhy You Should Learn JAX: A Molecular Dynamics ShowcaseJAX provides a suite of features in numerical Python including Just-In-Time compilation, automatic differentiation, GPU computing, and…Jun 182
Mulugeta SemeworkDrug discovery and Graph Neural Networks (GNNs): a regression exampleNeural Networks called Graph neural networks (GNNs) that help us understand relationships between different graphs and nodes (such as…Mar 14Mar 14
Elvis MartisHow to teach Computers to learn Chemistry? Part 4: Simulating BiologyIn the previous blog, I introduced the potential energy surface (PES) concept, the various regions and their significance. The first…Sep 27Sep 27
Afnan MostafaMolecular Dynamics: NVE, NVT, and NPT.If you have ever used any molecular dynamics (MD) code to simulate any physical property of any system, then you know how naive yet…Aug 16Aug 16
Sawan KumarAsking Brilliant Questions in Seminars: A Path to Deeper Engagement“I am always fascinated by how certain individuals at large seminars or even during simple project update presentations, seem to…Oct 2
Hossein GhorbanfekrWhy You Should Learn JAX: A Molecular Dynamics ShowcaseJAX provides a suite of features in numerical Python including Just-In-Time compilation, automatic differentiation, GPU computing, and…Jun 182
Mulugeta SemeworkDrug discovery and Graph Neural Networks (GNNs): a regression exampleNeural Networks called Graph neural networks (GNNs) that help us understand relationships between different graphs and nodes (such as…Mar 14
Elvis MartisHow to teach Computers to learn Chemistry? Part 4: Simulating BiologyIn the previous blog, I introduced the potential energy surface (PES) concept, the various regions and their significance. The first…Sep 27
Afnan MostafaMolecular Dynamics: NVE, NVT, and NPT.If you have ever used any molecular dynamics (MD) code to simulate any physical property of any system, then you know how naive yet…Aug 16
Igwebuike VeeTutorial: Homology Modelling Using Swiss ModelSWISS-MODEL is an automated protein structure homology-modelling server, widely used to predict 3D protein structures from an amino acid…Sep 7
Gaugarin OliverHow AI Has Supercharged Molecular Simulation and Molecular DynamicsArtificial intelligence has proven invaluable across many applications in countless industries. But, one of the most promising areas in…Sep 4
