☆17Feb 20, 2025Updated last year
Alternatives and similar repositories for Diffleop
Users that are interested in Diffleop are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆16Mar 14, 2024Updated 2 years ago
- Research repository for diffusion based structure based drug design☆30Mar 12, 2025Updated last year
- Discriminator for Model Docking☆11Dec 20, 2024Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆38Jan 23, 2024Updated 2 years ago
- ☆10Apr 1, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆33Jan 31, 2026Updated 6 months ago
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated last month
- Autoregressive fragment-based diffusion for target-aware ligand design☆36May 23, 2024Updated 2 years ago
- Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)☆15Jan 26, 2022Updated 4 years ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆242Mar 22, 2026Updated 4 months ago
- [Neurips 2025] Official Implementation of ConfRover models☆29Feb 3, 2026Updated 6 months ago
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆32May 2, 2026Updated 3 months ago
- ☆76Nov 7, 2025Updated 9 months ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆39Sep 6, 2024Updated last year
- 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.
- ☆60Feb 15, 2024Updated 2 years ago
- ☆30Apr 3, 2025Updated last year
- ☆12Oct 14, 2023Updated 2 years ago
- [PNAS 2025] Code of "Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design".☆39Jul 17, 2026Updated 3 weeks ago
- Scientific/Academic/Scholarly Research. 科研学术☆17May 11, 2025Updated last year
- PhoreGen: Pharmacophore-Oriented 3D Molecular Generation towards Efficient Feature-Customized Drug Discovery https://www.nature.com/artic…☆40Jan 26, 2026Updated 6 months ago
- Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics☆48Jun 24, 2025Updated last year
- ☆81Feb 17, 2026Updated 5 months ago
- Apply fine-tuning and transfer learning for regression to ChemBERTa, a BERT-like model applied to chemical SMILES data.☆19Jan 12, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆50Jun 5, 2026Updated 2 months ago
- ☆21May 28, 2025Updated last year
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆101Updated this week
- 3D-CNN based water position prediction method☆11Nov 20, 2023Updated 2 years ago
- RDKit code for the JCIM article☆17Aug 17, 2013Updated 12 years ago
- GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data☆35Apr 10, 2026Updated 4 months ago
- A tool that helps finding decoy molecules for a given target, provided a set of active molecules.☆19Feb 24, 2022Updated 4 years ago
- ☆13Oct 3, 2017Updated 8 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆30Jun 30, 2025Updated last year
- 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.
- 学习资料☆12Nov 2, 2017Updated 8 years ago
- Implementation of IDOLpro: Guided Multi-objective Generative AI to Enhance Structure-based Drug Design.☆16Jun 4, 2025Updated last year
- ☆46Jul 13, 2025Updated last year
- ☆41Jun 24, 2024Updated 2 years ago
- ☆43Sep 24, 2025Updated 10 months ago
- An unsupervised deep learning-based approach for 4D-CT lung Deformable Image Registration☆22Nov 29, 2023Updated 2 years ago
- [AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design☆22Mar 31, 2024Updated 2 years ago