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an electronic structure program package that is a flexible, efficient, and easy-to-use general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules.

an application for managing an SBGrid software installation. Users can choose a subset of applications for installation on their laptops or desktops or configure site installations for clusters, servers or cloud resources. This version is the command-line interface. A graphical version is available for download on the SBGrid wiki : https://sbgrid.org/wiki/client_downloads .

(X-Window-based Microscopy Image Processing Package) a suite of image processing programs primarily aimed at single-particle 3D electron microscopy.

a pipeline for particle detection in cryo-electron microscopy images using convolutional neural networks trained from positive and unlabeled examples. Topaz includes methods for micrograph denoising using deep denoising models.

a controllable foundation model for general and specialized biomolecular structure prediction that supports proteins, nucleic acids, and their complexes.

a suite of tools for drug discovery.

is a comprehensive all-atom benchmark for biomolecular structure prediction that spans proteins, nucleic acids, ligands, and six major interaction types. The benchmark includes 1,505 low-homology targets covering protein-protein, antibody-antigen, protein-ligand, protein-peptide, protein-RNA, and protein-DNA interfaces, plus monomeric structures for proteins, RNA, and DNA. It provides standardized evaluation metrics and a leaderboard comparing major structure prediction models including AlphaFold 3, Boltz-1, Chai-1, HelixFold 3, and Protenix across different molecular interaction types.

a successor to the original LIGPLOT program for automatic generation of 2D ligand-protein interaction diagrams. It is run from an intuitive java interface which allows on-screen editing of the plots via mouse click-and-drag operations.

a high performance toolkit for molecular simulation that can be used either as a stand-alone application for running simulations or as a library you call from your own code.

a program for ab initio phase determination.