☆17Sep 26, 2025Updated 11 months ago
Alternatives and similar repositories for Surfaces
Users that are interested in Surfaces are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MSU ProFlex (formerly called FIRST) predicts the rigid and flexible regions in a protein structure, given a Protein Data Bank (PDB) file …☆10Apr 16, 2022Updated 4 years ago
- The LoCoHD metric for protein-protein structure comparison☆15Oct 1, 2025Updated 11 months ago
- ☆16Aug 8, 2025Updated last year
- ☆16Jun 11, 2021Updated 5 years ago
- ☆23Dec 11, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆40Jun 10, 2025Updated last year
- ☆16May 12, 2023Updated 3 years ago
- ☆13Jul 11, 2023Updated 3 years ago
- ☆20May 15, 2025Updated last year
- ☆17Oct 30, 2023Updated 2 years ago
- ☆23Oct 2, 2024Updated last year
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- Docking Tool Benchmarking Workflow☆25Jul 17, 2024Updated 2 years ago
- EPSAPG: An Extensive Protein Sequence Alignment Profiles Generator Pipeline Combining MMseqs2 and PSI-BLAST☆11Apr 4, 2024Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆43Oct 9, 2024Updated last year
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆22Feb 25, 2026Updated 6 months ago
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆23Feb 23, 2026Updated 7 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years ago
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆45Jul 17, 2025Updated last year
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆39Mar 19, 2025Updated last year
- Graphinity: Equivariant Graph Neural Network Architecture for Predicting Change in Antibody-Antigen Binding Affinity☆14Jul 9, 2025Updated last year
- DualBind is a 3D structure-based deep learning model with a dual-loss framework for accurate and fast protein-ligand binding affinity pre…☆25Oct 21, 2025Updated 11 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆18Jan 13, 2023Updated 3 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆64Mar 30, 2026Updated 5 months ago
- Rank binders by structure modeling☆17Apr 10, 2026Updated 5 months ago
- Protein-peptide docking with ESMFold language model☆16May 30, 2026Updated 3 months ago
- ☆37Jan 15, 2023Updated 3 years ago
- DSSPparser is an easy tool to parse dssp file, and can transform PDB format file to dssp format file by xssp,also support the tansfrom be…☆13Sep 20, 2022Updated 4 years ago
- Fast, accurate, and deterministic protein side-chain packing☆40Feb 28, 2025Updated last year
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆42Updated this week
- This package contains tools for setting up hybrid-topology FE calculations☆39Sep 7, 2026Updated 2 weeks ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Straightforward & minimalistic removal of poorly aligned regions in sequence alignments.☆17Mar 18, 2019Updated 7 years ago
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- A scoring function model based on 3D convolutional neural network for protein-ligand binding affinity prediction.☆17Oct 8, 2021Updated 4 years ago
- ☆28Jul 3, 2024Updated 2 years ago
- Algorithm for identifying hydrogen bond networks in CG proteins to implement Go-like Martini 3 models☆17Oct 25, 2024Updated last year
- ☆41Jan 26, 2026Updated 7 months ago
- ☆20Nov 24, 2025Updated 9 months ago