EDAPINENUT / ppflowLinks
This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)
☆88Updated 8 months ago
Alternatives and similar repositories for ppflow
Users that are interested in ppflow are comparing it to the libraries listed below
Sorting:
- Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >☆316Updated 4 months ago
- Trainable PyTorch framework for developing protein, RNA and complex models.☆264Updated last year
- AFusion: AlphaFold 3 GUI & Toolkit with Visualization☆168Updated 4 months ago
- [Briefings In Bioinformatics] DrugAssist: A Large Language Model for Molecule Optimization☆138Updated 9 months ago
- A Local Frame-based Atomistic Potential☆117Updated 3 weeks ago
- Variational Autoencoder (VAE)-based molecular SMILES string generator☆14Updated 9 months ago
- This is the official code of the paper "A Multi-Agent System Enables Versatile Information Extraction from the Chemical Literature"☆75Updated this week
- ⚗️ An all-in-one solution for chemical property retrieval from PubChem.☆29Updated last month
- Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".☆84Updated last year
- A PyTorch-based system for highly accurate drug-target interaction predictions utilizing multi-modal large language models to discern str…☆36Updated last year
- SSAlign☆45Updated last week
- OpenMM, an open-source platform for molecular dynamics (MD) simulations, is supported by an MCP server that offers a structured communica…☆32Updated 7 months ago
- ☆167Updated last year
- Few-Shot Graph Learning for Molecular Property Prediction☆138Updated 2 years ago
- This is the official code of the paper "MolNexTR: a generalized deep learning model for molecular image recognition"☆154Updated 2 weeks ago
- Activity-Cliff Awareness Enables Robust Graph Learning for Molecular Property Prediction☆46Updated last month
- MatDGL is a neural network package that allows researchers to train custom models for crystal modeling tasks. It aims to accelerate the r…☆52Updated last year
- PaddleMaterials is a data-mechanism dual-driven, foundation model development and deployment, end to end toolkit based on PaddlePaddle de…☆80Updated 2 weeks ago
- Source code for ICLR2025 paper "NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation".☆90Updated 5 months ago
- 适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合，可用于并行计算等温线、高通量模拟，zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for para…☆56Updated 9 months ago
- Electron-density-informed effective and reliable de novo molecular design and optimization with ED2Mol☆128Updated 4 months ago
- Toxicity prediction agents☆65Updated 2 weeks ago
- ☆13Updated 4 years ago
- ☆55Updated 10 months ago
- GraphMETRO: Mitigating Complex Graph Distribution Shifts via Mixture of Aligned Experts (NeurIPS 2024)☆30Updated 10 months ago
- [JMI 2022] TCLR is a tree model for distinguish the mechanisms of data | document https://tclr.netlify.app/☆19Updated 2 months ago
- [AAAI 2025] Dynamic Protein Data Bank☆780Updated 5 months ago
- GENERator: A Long-Context Generative Genomic Foundation Model☆442Updated 2 months ago
- Public code repository for "Scaling External Knowledge Input Beyond the Context Length of LLMs via Multi-Agent Collaboration"☆21Updated 6 months ago
- An implementation of Explicit Shortcut model for One-step Diffusion Generation☆52Updated last week