☆24May 18, 2026Updated last month
Alternatives and similar repositories for MolSculptor
Users that are interested in MolSculptor are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆24May 22, 2025Updated last year
- ☆10Jul 30, 2024Updated last year
- ☆13Oct 9, 2024Updated last year
- Structure-based drug design based on Retrieval Augmented Generation☆28Nov 7, 2025Updated 7 months ago
- 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.
- Code Space of SynLlama☆50Apr 11, 2026Updated 2 months ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- ☆13Apr 1, 2026Updated 3 months ago
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆31May 2, 2026Updated 2 months ago
- Code for ApoDock☆21Apr 7, 2025Updated last year
- Dockerized Version of the DiffDock model from MIT☆13May 22, 2023Updated 3 years ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆33May 17, 2024Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆27Mar 24, 2025Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆57Updated this week
- ☆42Jul 8, 2023Updated 2 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- ☆15Apr 14, 2023Updated 3 years ago
- [ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension☆20May 5, 2025Updated last year
- ☆23Oct 2, 2024Updated last year
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆25Dec 24, 2025Updated 6 months ago
- [CVPR 26] MarkushGrapher-2: End-to-end Multimodal Recognition of Chemical Structures☆67May 29, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback☆21May 22, 2025Updated last year
- A Molecular Benchmark for Disease and Target Based Machine Learning☆25Feb 9, 2022Updated 4 years ago
- ☆13Apr 15, 2024Updated 2 years ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆30Mar 20, 2025Updated last year
- ☆18Feb 2, 2026Updated 5 months ago
- ☆75Nov 7, 2025Updated 7 months ago
- ESM-driven Pocket Cross Similarity☆17Aug 11, 2025Updated 10 months 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.
- Synthetic Accessibility via Fragment Assembly Generation☆24Updated this week
- ☆11May 25, 2026Updated last month
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 4 months ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- ☆12Oct 9, 2024Updated last year
- Computer-aided synthesis planning☆56Updated this week
- ☆42Mar 26, 2025Updated last year