☆36Jun 30, 2024Updated last year
Alternatives and similar repositories for Voxbind
Users that are interested in Voxbind are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- When you face some problem in drug discovery, just delete☆13Aug 3, 2024Updated last year
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆70Dec 6, 2024Updated last year
- ☆17Sep 4, 2023Updated 2 years ago
- [AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design☆21Mar 31, 2024Updated 2 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 9 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.
- Pose checks for 3D Structure-based Drug Design methods☆94Nov 3, 2024Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆34Mar 24, 2025Updated last year
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆83Dec 6, 2025Updated 4 months ago
- Official repository for MolCRAFT series☆149Oct 27, 2025Updated 5 months ago
- ☆17Jul 30, 2024Updated last year
- De novo drug design with deep interactome learning☆19Mar 19, 2026Updated 3 weeks ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆43Jul 4, 2025Updated 9 months ago
- ☆23Mar 8, 2024Updated 2 years ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆34Jul 16, 2024Updated last year
- 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.
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆21Feb 20, 2025Updated last year
- Deep generative models of 3D grids for structure-based drug discovery☆238Mar 10, 2023Updated 3 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆31Feb 20, 2024Updated 2 years ago
- ☆17Oct 26, 2024Updated last year
- ☆13Jun 7, 2024Updated last year
- ☆12Mar 15, 2026Updated 3 weeks ago
- ☆149Jul 31, 2025Updated 8 months ago
- Code for the paper "NovoMolGen: Rethinking Molecular Language Model Pretraining"☆25Jan 18, 2026Updated 2 months ago
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆34Mar 19, 2025Updated last year
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- A Fast, Simplified Model for Molecular Generation with Improved Physical Quality☆28Oct 1, 2025Updated 6 months ago
- ☆42Jun 3, 2025Updated 10 months ago
- ☆18Jun 14, 2025Updated 9 months ago
- Discriminator for Model Docking☆11Dec 20, 2024Updated last year
- DyNoPy☆11Sep 5, 2024Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆56Dec 27, 2023Updated 2 years ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆92Mar 31, 2026Updated last week
- 3D_Molecular_Generation☆109Nov 23, 2024Updated last year
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆71Jul 27, 2023Updated 2 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.
- ☆19Jul 14, 2022Updated 3 years ago
- ☆93Apr 1, 2026Updated last week
- ☆16Sep 15, 2025Updated 6 months ago
- Grid Generation☆11Mar 7, 2024Updated 2 years ago
- ☆65Nov 28, 2023Updated 2 years ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- ☆32Aug 28, 2025Updated 7 months ago