Open-source Python code that follows along with Sanjeev V. Namjoshi's Fundamentals of Active Inference (MIT Press, 2026). The book itself is not open source; this repository provides a clean, ...

│ ├── dGbyG_CrossValidation_EC.ipynb # code for leave-one-group-out cross validation classfied by EC classes │ ├── dGbyG_CrossValidation_K_fold.ipynb # code for k-fold cross-validation │ ├── ...

Classical density functional theory (DFT) is a powerful approach for predicting inhomogeneous fluid equilibria. The development of functionals that model the rich interparticle correlations remains a ...

Chemistry simulations using interactive graphic user interfaces (GUIs) represent uniquely effective and safe tools to support multidimensional learning. Computer literacy and coding skills have become ...

The concept of the druggable genome has been with us for 20 years. During this time, researchers have developed several methods and resources to help assess a target’s druggability. In parallel, ...

The 3D architectures of RNAs are essential for understanding their cellular functions. While an accurate scoring function based on the statistics of known RNA structures is a key component for ...