Structure-based fragment identification in latent space
☆30Mar 4, 2026Updated last month
Alternatives and similar repositories for LatentFrag
Users that are interested in LatentFrag are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆32Nov 23, 2025Updated 4 months ago
- ☆59Feb 17, 2026Updated last month
- Score-based 3D molecule generation with neural fields - NeurIPS 2024☆28Dec 3, 2024Updated last year
- [ICLR 2025 Spotlight] Boltzmann-Aligned Inverse Folding Model as a Predictor of Mutational Effects on Protein-Protein Interactions☆44Mar 10, 2025Updated last year
- Protein representation and design under a single training scheme☆24Mar 3, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- ☆17Sep 16, 2025Updated 6 months ago
- ☆12Nov 16, 2023Updated 2 years ago
- ☆49Jul 30, 2025Updated 8 months ago
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆59Jul 3, 2025Updated 9 months ago
- ☆65Sep 14, 2023Updated 2 years ago
- ☆15Mar 27, 2024Updated 2 years ago
- ☆15Jan 31, 2026Updated 2 months ago
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆19Nov 16, 2025Updated 4 months ago
- Pre-commit and post-checkout hooks making git better suited for version control of zipped Office Open XML files, e.g. Word/.docx, Excel/.…☆14Mar 22, 2018Updated 8 years ago
- 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.
- DualBind is a 3D structure-based deep learning model with a dual-loss framework for accurate and fast protein-ligand binding affinity pre…☆18Oct 21, 2025Updated 5 months ago
- A thin wrapper around ProteinMPNN for convenient sampling without having to write out or consume files☆13Apr 29, 2024Updated last year
- A curated list of papers and resources on Structure-Based Drug Design (SBDD)☆12Jun 24, 2024Updated last year
- AbBFN2: A flexible antibody foundation model based on Bayesian Flow Networks☆39Jun 4, 2025Updated 10 months ago
- Official code base for "General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design"☆13Jul 18, 2025Updated 8 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆105Jul 30, 2024Updated last year
- ML-based molecular representation models using PyTorch☆16Feb 25, 2026Updated last month
- Protein Engineering via Exploration of an Energy Landscape☆131Mar 10, 2026Updated 3 weeks ago
- Predicting mutational effects on protein binding from folding energy. ICML 2025.☆41Aug 4, 2025Updated 8 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆44Nov 4, 2025Updated 5 months ago
- Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models☆33Dec 23, 2025Updated 3 months ago
- Code for the paper "Learning to engineer protein flexibility".☆23Mar 24, 2026Updated 2 weeks ago
- ☆26Aug 25, 2025Updated 7 months ago
- ☆20Mar 20, 2025Updated last year
- Chroma Protein Diffusion Model☆12Nov 16, 2023Updated 2 years ago
- Generates and scores synthetically tractable elaborations from fragment screens☆21Feb 27, 2026Updated last month
- Awesome papers related to generative flow matching and its applications in bioinformatics.☆34Feb 2, 2026Updated 2 months ago
- Graph Denoising Diffusion for Inverse Protein Folding(NeurIPS 2023)☆72Jul 19, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- An easy (and fast) API for popular 3D molecular datasets!☆47Mar 24, 2026Updated 2 weeks ago
- A repository for physico-chemical data extracted from the NIST Chemistry WebBook☆17Jul 23, 2025Updated 8 months ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆17Feb 12, 2026Updated last month
- FeNNol Pretrained Models Collection☆21Dec 17, 2025Updated 3 months ago
- Vabs-Net: Pre-Training Protein Bi-level Representation Through Span Mask Strategy On 3D Protein Chains☆18Sep 12, 2024Updated last year
- ASHIGARU is a terminal-based interface & system powered by React & Ink that combines the power of modern web technologies with the effici…☆44Jan 2, 2026Updated 3 months ago