☆39Sep 24, 2025Updated 5 months ago
Alternatives and similar repositories for TamGen
Users that are interested in TamGen are comparing it to the libraries listed below
Sorting:
- ☆14Mar 2, 2023Updated 2 years ago
- ☆37Feb 5, 2026Updated 3 weeks ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Jul 26, 2023Updated 2 years ago
- ☆15May 26, 2025Updated 9 months ago
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆14Jul 8, 2025Updated 7 months ago
- ☆40Jun 20, 2025Updated 8 months ago
- Solution of KDD cup 2021☆11Jun 16, 2021Updated 4 years ago
- ☆14Apr 16, 2024Updated last year
- ☆31Aug 28, 2025Updated 6 months ago
- ☆13Oct 29, 2022Updated 3 years ago
- Large Language Models in Molecular Embeddings☆12May 1, 2024Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- ☆26Sep 9, 2025Updated 5 months ago
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆31Jul 17, 2023Updated 2 years ago
- ☆40Jun 3, 2025Updated 8 months ago
- Official code repository for the paper Molecule Generation with Fragment Retrieval Augmentation (NeurIPS 2024)☆28Apr 2, 2025Updated 10 months ago
- RDKit code for the JCIM article☆17Aug 17, 2013Updated 12 years ago
- Official code repo for the paper "ChemToolAgent: The Impact of Tools on Language Agents for Chemistry Problem Solving" (previously "Tooli…☆18Jun 7, 2025Updated 8 months ago
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆17Feb 17, 2025Updated last year
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆29Aug 2, 2025Updated 6 months ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆90Jan 29, 2026Updated last month
- Membrane protein builder and parameterizer☆19Sep 1, 2024Updated last year
- ☆20Feb 26, 2021Updated 5 years ago
- ☆57Feb 17, 2026Updated last week
- ☆22Aug 1, 2023Updated 2 years ago
- ☆16Oct 26, 2024Updated last year
- Molecular Structure Generation☆34Aug 13, 2024Updated last year
- This repository collects various works that reproduce DeepSeek R1, as well as works related to DeepSeek R1 and the DeepSeek series.☆19Apr 27, 2025Updated 10 months ago
- [ICML2025] The official implementation of "WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State…☆32Jun 7, 2025Updated 8 months ago
- Synthetic Bayesian Classification☆50Jan 18, 2021Updated 5 years ago
- Mol-Opt: a toolbox for molecular design☆24Apr 15, 2024Updated last year
- AutoGrow4 is an open-source program for semi-automated computer-aided drug discovery. It uses a genetic algorithm to evolve predicted lig…☆54Oct 7, 2025Updated 4 months ago
- ☆26Apr 3, 2025Updated 10 months ago
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆24May 22, 2025Updated 9 months ago
- ☆76Jan 11, 2025Updated last year
- an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets☆153May 14, 2025Updated 9 months ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆32Dec 26, 2024Updated last year