PaddlePaddle / PaddleMaterialsLinks
PaddleMaterials is a data-mechanism dual-driven, foundation model development and deployment, end to end toolkit based on PaddlePaddle deep learning framework for materials science and engineering.
☆42Updated last week
Alternatives and similar repositories for PaddleMaterials
Users that are interested in PaddleMaterials are comparing it to the libraries listed below
Sorting:
- A Local Frame-based Atomistic Potential☆111Updated 2 weeks ago
- ☆236Updated last year
- MatDGL is a neural network package that allows researchers to train custom models for crystal modeling tasks. It aims to accelerate the r…☆51Updated last year
- An Open-Source Electrochemical Reaction Simulator☆169Updated last week
- Variational Autoencoder (VAE)-based molecular SMILES string generator☆12Updated 4 months ago
- ☆117Updated 2 years ago
- ☆167Updated last year
- FEniCS codes for numerical electromagnetic fields. The version of FEniCS is 2017.2☆96Updated 2 years ago
- ☆57Updated last year
- A Quantum Computing and Machine Learning Model that accelerates the Drug Research and Development process☆39Updated 10 months ago
- A full-stack web application for data analysis and visualization, featuring AI-driven insights generation powered by Gemini.☆25Updated 8 months ago
- This is the official code of the paper "MolNexTR: a generalized deep learning model for molecular image recognition"☆139Updated last month
- Source code for ICLR2025 paper "NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation".☆85Updated 3 weeks ago
- Advanced long-term earth system forecasting by learning the small-scale nature☆267Updated last month
- DASFAA 2024 - Knowledge Graph (KG) Augmented Disease Prediction Code☆42Updated last year
- OpenMM, an open-source platform for molecular dynamics (MD) simulations, is supported by an MCP server that offers a structured communica…☆30Updated 3 months ago
- [JMI 2022] TCLR is a tree model for distinguish the mechanisms of data | document https://tclr.netlify.app/☆19Updated 11 months ago
- This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)☆83Updated 4 months ago
- Toxicity prediction agents☆55Updated this week
- 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…☆49Updated 5 months ago
- A tool for visualizing molecular orbitals from cube files☆28Updated last month
- C++ codes for FDTD Maxwell's equation.☆157Updated 2 years ago
- Geological Everything Model 3D: A Promptable Foundation Model for Unified and Zero-Shot Subsurface Understanding☆44Updated last week
- ☆44Updated 2 years ago
- ☆33Updated last year
- 一个基于多个大语言模型的智能学术范文写作系统，能够根据输入的开题报告或研究设计文档，自动生成包含引用的学术范文的各章节内容。☆220Updated 2 months ago
- ☆116Updated 2 months ago
- (NeurIPS‘24) LLM4EA: <Entity Alignment with Noisy Annotations from Large Language Models>☆56Updated last month
- ☆101Updated last year
- AI solution for Patent Classification☆141Updated 5 years ago