Collection of papers for Molecular Representation using AI
☆38Feb 21, 2026Updated 4 months ago
Alternatives and similar repositories for papers_for_molecular_representation
Users that are interested in papers_for_molecular_representation are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An Image-enhanced Molecular Graph Representation Learning Framework (IJCAI 2024)☆17Dec 24, 2024Updated last year
- Baseline model for PPB-Affinity benchmark data☆43May 21, 2025Updated last year
- MMGX: Multiple Molecular Graph eXplainable Discovery☆22Apr 28, 2026Updated 2 months ago
- ☆18Feb 5, 2024Updated 2 years ago
- p-IgGen: A Generative Paired Antibody Language Model☆13May 6, 2025Updated last year
- 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.
- An official implementation of "Directed Chemical Evolution via Navigating Molecular Encoding Space.", which is a foundational model to br…☆42Feb 3, 2026Updated 5 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆20Dec 22, 2024Updated last year
- Official implementation for the paper "EBMDOCK: NEURAL PROBABILISTIC PROTEIN-PROTEIN DOCKING VIA A DIFFERENTIABLE ENERGY-BASED MODEL" (IC…☆14Apr 24, 2024Updated 2 years ago
- RNA, mRNA, DNA, Peptide, Protein, Antibody and Complex | Folding☆44Nov 20, 2025Updated 7 months ago
- ☆13Apr 1, 2026Updated 3 months ago
- Molecular visualization for MDAnalysis with MolecularNodes in Blender☆21Mar 30, 2025Updated last year
- The MULTICOM4 protein structure prediction system developed by the Bioinformatics and Machine Learning Lab at the University of Missouri …☆17Nov 27, 2025Updated 7 months ago
- design pipeline for protein, nucleic acid, and small molecule☆43Mar 5, 2026Updated 4 months ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated 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.
- PyChem-Pro: a flexible programmable, fast molecular viewer - 2D and 3D, molecular docking pose viewer, cheminformatics library, molecular…☆207Updated this week
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆176Jun 25, 2026Updated 2 weeks ago
- This is the GitHub repository accompanying Krishnan, Anahtar, Valeri, et al., 2025☆38Jun 8, 2025Updated last year
- Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction☆14Apr 23, 2024Updated 2 years ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆56Jun 19, 2025Updated last year
- 一个为RAG系统设计的Markdown文档工具，提供标题结构自动抽取和文档分割两大功能。完整保留文档层级结构，解决传统切分器丢失标题层级与破坏表格完整性的问题。A hierarchy-preserving Markdown document splitter for RAG…☆15Jan 2, 2025Updated last year
- Various Ideas for Protein Masked LM with ESMFold/ESM-2☆15Aug 17, 2023Updated 2 years ago
- DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback☆21May 22, 2025Updated last year
- Kimariyb 的科研绘图脚本，涵括很多类型的曲线图☆10Nov 1, 2023Updated 2 years 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.
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆45Aug 2, 2023Updated 2 years ago
- ☆37Mar 9, 2026Updated 4 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆36May 23, 2024Updated 2 years ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆234Updated this week
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆300Updated this week
- A collection of resources related with Knowledge-augmented Graph Machine Learning for Drug Discovery.☆25Jun 28, 2024Updated 2 years ago
- 直観主義の命題論理+自然演繹の中で与えられた定理を検証する遺伝的アルゴリズムを用いた証明探索エンジン☆19Mar 11, 2026Updated 3 months ago
- ☆141Jun 17, 2025Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆41Jun 6, 2025Updated last year
- 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.
- ☆24May 18, 2026Updated last month
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 3 years ago
- Official implementation of UnifiedReward & UnifiedReward-Think☆17Jun 18, 2025Updated last year
- Designing antimicrobial peptides (AMPs) is awesome.☆36Jun 18, 2026Updated 3 weeks ago
- Official repository for MolCRAFT series☆156Oct 27, 2025Updated 8 months ago
- NMR structure elucidation☆24Jun 16, 2025Updated last year
- ☆13May 18, 2025Updated last year