Official implementation of SketchMol.
☆33Feb 14, 2025Updated last year
Alternatives and similar repositories for SketchMol-v1
Users that are interested in SketchMol-v1 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆19May 16, 2026Updated last month
- An official implementation of "Directed Chemical Evolution via Navigating Molecular Encoding Space.", which is a foundational model to br…☆42Feb 3, 2026Updated 4 months ago
- A universal structure-directed lead optimization☆76Jan 30, 2026Updated 4 months ago
- ☆42Mar 26, 2025Updated last year
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- ☆13Oct 9, 2024Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆30May 10, 2025Updated last year
- MMGX: Multiple Molecular Graph eXplainable Discovery☆22Apr 28, 2026Updated last month
- ☆13May 18, 2025Updated last year
- List of papers about Peptide research using Deep Learning☆40Jun 10, 2026Updated last week
- ☆29Oct 7, 2024Updated last year
- A Molecular Video-derived Foundation Model for Scientific Drug Discovery (Nature Communications 2024)☆25Dec 24, 2024Updated last year
- ☆44Apr 10, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆15May 29, 2024Updated 2 years ago
- ☆14May 15, 2024Updated 2 years ago
- ☆26Mar 20, 2026Updated 2 months ago
- ☆12Jan 25, 2026Updated 4 months ago
- This repository gathers the SchNet4AIM code along with some instructions and readme files.☆15Mar 13, 2024Updated 2 years ago
- [PNAS 2025] Code of "Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design".☆36Jun 12, 2026Updated last week
- Autoregressive fragment-based diffusion for target-aware ligand design☆36May 23, 2024Updated 2 years ago
- Molecular Library Toolbox☆66Apr 27, 2026Updated last month
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆13Jul 8, 2025Updated 11 months 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.
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆24Oct 31, 2025Updated 7 months ago
- Disordered protein ensemble prediction☆14Jun 11, 2026Updated last week
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆37Apr 6, 2026Updated 2 months ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆35Dec 26, 2024Updated last year
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆29Aug 20, 2024Updated last year
- Cyclic-peptide - protein complexes benchmark and associated scripts and data☆16Aug 31, 2024Updated last year
- Synthetic Accessibility via Fragment Assembly Generation☆23Apr 18, 2026Updated 2 months ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆39Sep 6, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Protein function prediction using protein structures and deep graph neural networks.☆22Jan 24, 2025Updated last year
- ☆20Jul 3, 2024Updated last year
- 3D_Molecular_Generation☆115Nov 23, 2024Updated last year
- ☆13Apr 1, 2026Updated 2 months ago
- Token-Mol 1.0：tokenized drug design with large language model☆65Jun 1, 2026Updated 2 weeks ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆27Oct 8, 2024Updated last year
- ☆17Sep 26, 2025Updated 8 months ago