MM-PBSA method for GROMACS. For full description, please visit homepage:
☆15Aug 1, 2026Updated last week
Alternatives and similar repositories for g_mmpbsa
Users that are interested in g_mmpbsa are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar stru…☆30May 15, 2026Updated 2 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆35Jul 24, 2026Updated 2 weeks ago
- The LoCoHD metric for protein-protein structure comparison☆15Oct 1, 2025Updated 10 months ago
- Pipeline for genome scaffolding by modelling distributions of HiC pairs☆12Dec 7, 2022Updated 3 years ago
- ☆15Jan 31, 2026Updated 6 months 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.
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year
- FeNNol Pretrained Models Collection☆21Dec 17, 2025Updated 7 months ago
- This pipeline is used to distinguish allotetraploid subgenomes.☆11Apr 8, 2024Updated 2 years ago
- POLYGON VAE For de novo Polypharmacology☆42Mar 5, 2025Updated last year
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Mar 6, 2026Updated 5 months ago
- Python rich client for visual protein Sequence to Structure Analysis☆22Mar 31, 2026Updated 4 months ago
- An R package to perform systematic quality checks on comparative genomics analyses☆12Mar 5, 2026Updated 5 months ago
- Whole organelle genome-wide alignment construction method, which ultilizes BLAST tool, to facilitate phylogeny analysis☆15Aug 27, 2023Updated 2 years ago
- A comprehensive repository of scripts, software, and tutorials for molecular evolution, computational protein design, and structural bioi…☆33Jul 26, 2026Updated 2 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Quantum-mechanical molecular representations☆31Jun 19, 2026Updated last month
- A tool for motif annotation and visualization in tandem repeats.☆15May 26, 2025Updated last year
- RegCloser is a genome gap-closing tool based on the robust regression approach, which is conceptually applicable to de novo assembly of N…☆16Apr 22, 2024Updated 2 years ago
- Deep generative modeling of protein structural ensembles☆41May 27, 2026Updated 2 months ago
- ☆31Feb 27, 2026Updated 5 months ago
- Some components that speed up and reduce resource cost for original ALLHiC☆15Jun 21, 2025Updated last year
- OCEAN - Optimized Cross rEActivity estimatioN☆12Apr 29, 2020Updated 6 years ago
- T2Tools is a toolset contains several tools for T2T assembly, and it is under development.☆17Sep 17, 2025Updated 10 months ago
- Genome-wide gene gain/loss mapping tool using DTL(Duplication-Transfer-Loss) reconciliation method☆18Dec 29, 2022Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆50Jun 5, 2026Updated 2 months ago
- A flow matching model for generating conformational ensembles of protein backbones.☆48May 22, 2026Updated 2 months ago
- ☆16Apr 3, 2023Updated 3 years ago
- Protein discovery tool for mining in the Alphafold database based on the position of few amino acids.☆33Jun 25, 2026Updated last month
- ☆20Nov 24, 2025Updated 8 months ago
- Rank binders by structure modeling☆17Apr 10, 2026Updated 4 months ago
- Combines FRESEAN mode analysis of a protein (based on a CG representation) with enhanced sampling using metadynamics☆17May 7, 2026Updated 3 months ago
- ☆15Apr 16, 2026Updated 3 months ago
- a tool to evaluate long-read error correction mainly with PacBio High-Fidelity Reads (HiFi reads).☆20Dec 5, 2023Updated 2 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆22Feb 25, 2026Updated 5 months ago
- ELViM is a method for visualizing the energy landscapes of biomolecules simulations.☆17Aug 18, 2025Updated 11 months ago
- ☆18Oct 5, 2024Updated last year
- ☆15Jan 19, 2022Updated 4 years ago
- ☆31Aug 26, 2025Updated 11 months ago
- Reduce genome assembly redundancy using shared mapped k-mer method.☆15Apr 28, 2025Updated last year
- ☆19Jun 11, 2026Updated last month