#sbgridsoftware — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #sbgridsoftware, aggregated by home.social.
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New Title Alert: PXDesignBench- is a protein design evaluation suite for monomer and binder tasks that standardizes sequence generation, structure consistency assessment, and downstream metrics across tools including ProteinMPNN, ESMFold, AlphaFold2, and Protenix.
Learn more here: https://github.com/bytedance/PXDesignBench
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New Title Alert: MolDiff- is a diffusion framework designed for generating 3D drug-like molecules, achieving a sampling success rate of over 99%. This tool addresses the atom-bond inconsistency problem in 3D molecule diffusion generation and serves as a backbone for applications such as pocket-based generation and linker generation.
Learn more here: https://github.com/pengxingang/MolDiff/
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New Title Alert: Protein-quest- is a Python package to search/retrieve/filter proteins and protein structures.
Learn more here: https://www.bonvinlab.org/protein-quest/
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New Title Alert: MassiveFold- a tool designed to expand structure prediction sampling by optimizing the parallelization of AlphaFold-based predictions across GPU clusters.
Learn more here: https://github.com/GBLille/MassiveFold
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New Title Alert: MolSnapper- is a tool for conditioning diffusion models to generate 3D drug-like molecules, built on the MolDiff codebase. It integrates pretrained models and provides a streamlined workflow for sampling molecules from defined pockets, making it suitable for structure-based drug design applications.
Learn more here: https://github.com/oxpig/MolSnapper
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New Title Alert: MiCSPARC- is a CryoSPARC-based cryo-EM pipeline for microtubule image processing that combines automated filament tracing, particle picking, fast 3D refinement, protofilament-number assignment, alignment, register correction, and seam search to determine structures of decorated and undecorated microtubules.
Learn more here: https://github.com/wieczoreklab/MiCSPARC
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New Title Alert: Napari-SegSelect- is a plugin for Napari to select a connected component from a Membrain-seg segmentation.
Learn more here: https://napari-hub.org/plugins/napari-segselect
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New Title Alert: AFmassive- is a modified AlphaFold implementation for massive conformational sampling, derived from AlphaFold v2.3.2 and designed to integrate with MassiveFold for parallelized prediction workflows.
Learn more here: https://github.com/GBLille/AFmassive/
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New Title Alert: MemBrain-v2- is a tool that includes MemBrain-seg, MemBrain-pick, MemBrain-stats, and several Napari tools.
Learn more here: https://github.com/CellArchLab/MemBrain-v2/tree/main
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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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New Title Alert: EMRNA is a deep learning based automated RNA modeling from cryo-EM maps.
More here: http://huanglab.phys.hust.edu.cn/EMRNA/
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New Title Alert: doubleHelix is a tool for nucleic acid sequence identification, assignment and validation for cryo-EM and crystal structure models.
More here: https://gitlab.com/gchojnowski/doublehelix
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New Title Alert: checkMySequence is a sequence assignment validation tool for in cryo-EM models.