New Title Alert: PXDesign- is a de novo protein-binder design suite combining a diffusion generator (PXDesign-d) with Protenix and AF2-IG confidence models for candidate selection and ranking.

Learn more here: https://protenix.github.io/pxdesign/

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New Title Alert: vossvolvox- a C++17 command-line tools for analyzing molecular structures, specifically for computing volumes, channels, cavities, and tunnel geometry from various molecular input formats. Intended for structural biology and molecular biophysics.

Learn more here: https://github.com/vosslab/vossvolvox

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GitHub - vosslab/vossvolvox: This repository provides C++17 command-line tools for analyzing molecular structures by computing volumes, channels, cavities, and tunnel geometry from PDB, mmCIF, PDBML, or XYZR inputs. It is intended for researchers in structural biology and molecular biophysics who need reproducible grid-based analyses.

This repository provides C++17 command-line tools for analyzing molecular structures by computing volumes, channels, cavities, and tunnel geometry from PDB, mmCIF, PDBML, or XYZR inputs. It is inte...

GitHub

New Title Alert: mBER-open- is a protein design framework for antibody binder design that leverages structure templates and sequence conditioning in backpropagation-based design through AlphaFold-Multimer.

Learn more here: https://github.com/manifoldbio/mber-open/

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New Title Alert: easymode- a collection of general pretrained networks for cellular cryoET.

Learn more here: https://mgflast.github.io/easymode/

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New Title Alert: ThermoMPNN- is a graph neural network (GNN) designed to predict changes in stability for protein point mutants using transfer learning.

Learn more here: https://github.com/Kuhlman-Lab/ThermoMPNN

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GitHub - Kuhlman-Lab/ThermoMPNN: GNN trained to predict changes in thermodynamic stability for protein point mutants

GNN trained to predict changes in thermodynamic stability for protein point mutants - Kuhlman-Lab/ThermoMPNN

GitHub

New Title Alert: Slabify- is a command-line tool designed for the automatic segmentation of lamella slabs in cryo-electron tomography (cryo-ET) volumes.

Learn more here: https://github.com/CellArchLab/slabify-et

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New Title Alert: MagCalEM- Accurate magnification determination for cryoEM determining the correct magnified pixel size of single-particle cryoEM micrographs is necessary to maximise resolution and enable accurate model building.

Learn more here: https://www.mrc-lmb.cam.ac.uk/crusso/magCalEM/index.html

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magCalEM

magCalEM software homepage

New Title Alert: LASErMPNN- is an all-atom ligand-conditioned protein sequence design and sidechain packing model that accounts for the presence of small molecules, including hydrogens.

Learn more here: https://github.com/polizzilab/LASErMPNN/tree/main

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GitHub - polizzilab/LASErMPNN: All-Atom (Including Hydrogen!) Ligand-Conditioned Protein Sequence Design & Sidechain Packing GNN

All-Atom (Including Hydrogen!) Ligand-Conditioned Protein Sequence Design & Sidechain Packing GNN - polizzilab/LASErMPNN

GitHub

New Title Alert: IsoNet2- a deep-learning software package for simultaneous missing wedge correction, denoising, and CTF correction in cryo-electron tomography reconstructions using a deep neural network trained on information from the original tomogram(s).

Learn more here: https://github.com/IsoNet-cryoET/IsoNet2

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Technical Notes: January's software push includes updates to 15 titles -- anvi’o, BioXTAS RAW, ChemEx, CryomaskR, DeepRank-GNN-esm, DSSR, GROMACS, Icecream, IMP, PowerFit, PyEM, RDKit, SRAToolkit, Volume_Seg_Tool, and XDS.

More here: https://sbgrid.org/software/recent/archive/2026/01/

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SBGrid Consortium - Software Updates

The SBGrid Consortium is an innovative global research computing group operated out of Harvard Medical School. SBGrid provides the global structural biology community with support for research computing.