MM-PBSA method for GROMACS. For full description, please visit homepage:
☆15Dec 30, 2025Updated 6 months ago
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:
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆34Jun 17, 2026Updated last month
- The LoCoHD metric for protein-protein structure comparison☆15Oct 1, 2025Updated 9 months ago
- Pipeline for genome scaffolding by modelling distributions of HiC pairs☆11Dec 7, 2022Updated 3 years ago
- ☆15Jan 31, 2026Updated 5 months ago
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- 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☆43Mar 5, 2025Updated last year
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Mar 6, 2026Updated 4 months ago
- 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
- An R package to perform systematic quality checks on comparative genomics analyses☆12Mar 5, 2026Updated 4 months ago
- ☆33Jul 2, 2026Updated 2 weeks ago
- Whole organelle genome-wide alignment construction method, which ultilizes BLAST tool, to facilitate phylogeny analysis☆15Aug 27, 2023Updated 2 years ago
- Quantum-mechanical molecular representations☆30Jun 19, 2026Updated last month
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A tool for motif annotation and visualization in tandem repeats.☆14May 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☆39May 27, 2026Updated last month
- ☆29Feb 27, 2026Updated 4 months ago
- Some components that speed up and reduce resource cost for original ALLHiC☆15Jun 21, 2025Updated last year
- ELViM is a method for visualizing the energy landscapes of biomolecules simulations.☆16Aug 18, 2025Updated 11 months ago
- 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
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A flow matching model for generating conformational ensembles of protein backbones.☆47May 22, 2026Updated last month
- ☆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 3 weeks ago
- ☆20Nov 24, 2025Updated 7 months ago
- Rank binders by structure modeling☆17Apr 10, 2026Updated 3 months ago
- Combines FRESEAN mode analysis of a protein (based on a CG representation) with enhanced sampling using metadynamics☆16May 7, 2026Updated 2 months ago
- Official open-source of Accurate structure prediction of immune proteins using parameter-efficient transfer learning☆24Mar 19, 2025Updated last year
- ☆15Apr 16, 2026Updated 3 months ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆21Feb 25, 2026Updated 4 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- a tool to evaluate long-read error correction mainly with PacBio High-Fidelity Reads (HiFi reads).☆20Dec 5, 2023Updated 2 years ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆49May 22, 2026Updated last month
- ☆18Oct 5, 2024Updated last year
- ☆15Jan 19, 2022Updated 4 years ago
- ☆31Aug 26, 2025Updated 10 months ago
- A complete telomere-to-telomere assembly of sheep: T2T-sheep1.0☆21Nov 2, 2024Updated last year
- Reduce genome assembly redundancy using shared mapped k-mer method.☆15Apr 28, 2025Updated last year