☆30Apr 30, 2026Updated 2 months ago
Alternatives and similar repositories for hpacker
Users that are interested in hpacker are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Benchmarking code accompanying the release of `bioemu`☆64Jul 21, 2026Updated last week
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆856Jul 22, 2026Updated last week
- Models trained on the SPICE dataset☆10Sep 23, 2022Updated 3 years ago
- ☆21Oct 31, 2024Updated last year
- Building more accurate protein structures from backbone torsion angles☆16Mar 21, 2025Updated last year
- 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.
- ☆144May 18, 2026Updated 2 months ago
- Python package for handling ModelCIF mmCIF and BinaryCIF files☆14Updated this week
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆55Jul 22, 2025Updated last year
- repository for "GPCRact: a hierarchical framework for predicting ligand-induced GPCR activity via allosteric communication modeling"☆24Apr 25, 2026Updated 3 months ago
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 11 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆144Nov 11, 2025Updated 8 months ago
- ☆33Jun 1, 2024Updated 2 years ago
- Local Interaction Score (LIS) for structure prediction analysis☆84Updated this week
- ☆52Jan 2, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Metal and Water prediction☆15Feb 5, 2025Updated last year
- Predicting the effect of mutations on protein stability using a simple orientational potential.☆20Jul 5, 2024Updated 2 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆20Nov 28, 2023Updated 2 years ago
- ☆47Sep 16, 2024Updated last year
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year
- Accelerated protein structural generation flow-matching model based on Apple's SimpleFold.☆17May 6, 2026Updated 2 months ago
- Generative modeling of molecular dynamics trajectories☆223Mar 22, 2026Updated 4 months ago
- Metrics to evaluate distributional coverage of generative models of protein structures.☆21Aug 13, 2025Updated 11 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆37May 28, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆53Oct 27, 2025Updated 9 months ago
- ☆26Aug 25, 2023Updated 2 years ago
- A scoring function model based on 3D convolutional neural network for protein-ligand binding affinity prediction.☆17Oct 8, 2021Updated 4 years ago
- A drop-in replacement for Rosetta Relax☆30Jan 30, 2026Updated 5 months ago
- Structural optimization of drug molecules by generative deep learning.☆16Apr 9, 2026Updated 3 months ago
- ☆33Mar 2, 2026Updated 4 months ago
- The pytorch code of TDFold☆21Feb 25, 2026Updated 5 months ago
- ☆24Dec 4, 2025Updated 7 months ago
- Python based Graphical User Interface for generating input files for and running molecular dynamic simulation.☆10Aug 27, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆49Jul 16, 2026Updated last week
- ☆14Mar 16, 2024Updated 2 years ago
- Protein and nucleic acid validation service☆98Mar 7, 2024Updated 2 years ago
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆18May 7, 2025Updated last year
- A fast, programmable molecular viewer for research, scripting, and the web☆193Updated this week
- Protein prediction models implemented with Modal☆34Jul 9, 2026Updated 2 weeks ago
- Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold☆28Sep 13, 2024Updated last year