☆15Dec 13, 2025Updated 10 months ago
Alternatives and similar repositories for Diff-shape
Users that are interested in Diff-shape are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆31Aug 16, 2026Updated 2 months ago
- ☆17Dec 25, 2025Updated 10 months ago
- A PyQt5-based interactive tool for aligning and visualizing molecular analogs with customizable highlighting, transformations, and high-r…☆13Apr 29, 2026Updated 5 months ago
- ☆12Jul 5, 2024Updated 2 years ago
- ☆10Feb 1, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Geometric-facilitated Denoising Diffusion Model for 3D Molecule Generation☆10Jan 14, 2024Updated 2 years ago
- demo share☆12May 22, 2026Updated 5 months ago
- SBDD Benchmarking☆14Feb 18, 2025Updated last year
- converting 3d molecular representations to 2d☆14Sep 10, 2026Updated last month
- ☆40Feb 20, 2026Updated 8 months ago
- ☆47Sep 24, 2025Updated last year
- Research repository to the publication: Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molec…☆14Apr 2, 2024Updated 2 years ago
- Python toolkit for pre- and post-processing of FMO calculations☆17Oct 4, 2026Updated 3 weeks ago
- ☆20Dec 5, 2025Updated 10 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Local-first molecular modeling, WebGPU simulation, and conformer exploration in the browser☆28Sep 25, 2026Updated last month
- ☆10Dec 4, 2021Updated 4 years ago
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆116Sep 18, 2024Updated 2 years ago
- Open-source SBDD toolkit for standardized import of binding poses, restrained OpenMM minimization, pose QC, protein-ligand interaction an…☆23Sep 11, 2026Updated last month
- Ligand force matching☆12Dec 4, 2025Updated 10 months ago
- MMCLKin, an attention consistency-guided multimodal and multiscale contrastive learning framework for efficient and accurate prediction o…☆10Oct 8, 2025Updated last year
- ☆32Oct 20, 2026Updated last week
- Efficient 3D molecular generation with flow-matching and Semla☆63Jun 3, 2026Updated 4 months ago
- An automated and interoperable manager for computational chemistry workflows.☆21Updated this week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆31Aug 4, 2025Updated last year
- Implementation of “Bridging 3D Molecular Structures and Artificial Intelligence by a Conformation Description Language”☆38Sep 4, 2026Updated last month
- notebook repository☆12Jan 17, 2022Updated 4 years ago
- Shape-based alignment of molecules using 3D point-based representation☆26Apr 8, 2026Updated 6 months ago
- ☆20Mar 3, 2026Updated 7 months ago
- ☆90Feb 17, 2026Updated 8 months ago
- ☆26Updated this week
- ☆27May 15, 2019Updated 7 years ago
- Peptide2Mol: A Diffusion Model for Generating Small Molecules as Peptide Mimics for Targeted Protein Binding☆20Jul 7, 2026Updated 3 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Generate Simple Pharmacophore Models with RDKit☆52Sep 30, 2026Updated 3 weeks ago
- ☆21Dec 5, 2024Updated last year
- [ICLR 2025] CheapNet: Cross-attention on Hierarchical representations for Efficient protein-ligand binding Affinity Prediction☆13Mar 13, 2025Updated last year
- ☆61May 9, 2025Updated last year
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 9 years ago
- This is a simple script to use [plip](https://github.com/pharmai/plip) to batch analysis of interactions between proteins and ligands tha…☆10Dec 23, 2020Updated 5 years ago
- Repository for Q and Q-FEP modules☆27Updated this week