ai4science

There are 83 repositories under ai4science topic.

  • LUWA

    Language:Jupyter Notebook2

  • machine-learning-4-science-seminar

    Language:Shell2

  • Impact4Cast

    Forecasting high-impact research topics via machine learning on evolving knowledge graphs

    Language:Python21

  • HEPT

    [ICML'24 Oral] LSH-Based Efficient Point Transformer (HEPT)

    Language:Python17

  • Multimodal-Symbolic-Regression

    [ICLR 2024 Spotlight] SNIP on Symbolic Regression: Deep Symbolic Regression with Multimodal Pretraining

    Language:Python16

  • position_induced_transformer

    PyTorch implemention of the Position-induced Transformer for operator learning in partial differential equations

    Language:Python15

  • cMolGPT

    GPT (Generative Pre-trained Transformer) for de novo molecular design by enforcing specified targets

    Language:Python14

  • awesome-agents4science

    A curated list of papers on LLMs and agents for scientific research and development

    13

  • AAAR-1.0

    The source code for running LLMs on the AAAR-1.0 benchmark.

    Language:Python13

  • brainunit

    Physical units and unit-aware mathematical system in JAX for brain dynamics and AI4Science.

    Language:Python13

  • PTS

    Official PyTorch implementation of PTS/PSRN: Fast and efficient symbolic expression discovery through parallelized tree search. Evaluates millions of expressions simultaneously on GPU with automated subtree reuse.

    Language:Python13

  • battery_phm

    Algorithms for Battery Mangerment System

    Language:Jupyter Notebook13

  • Parity

    Deep Learning Potential model with Symmetry Invariant and Equivariant Descriptor

    Language:Python12

  • QFA

    Quasar Factor Analysis – An Unsupervised and Probabilistic Quasar Continuum Prediction Algorithm with Latent Factor Analysis

    Language:Jupyter Notebook11

  • magic-microlensing

    MAGIC: Microlensing Analysis Guided by Intelligent Computation. A PyTorch framework for automatic analysis of realistic microlensing light curves.

    Language:Jupyter Notebook11

  • LinkerNet

    The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)

    Language:Python10

  • ml4chem

    「機械学習による分子最適化」のサポートページ

    Language:Python10

  • Molecule-Generator

    Variational Autoencoder (VAE)-based molecular SMILES string generator

    Language:Python9

  • floGen

    General flow field prediction for data-based optimization

    Language:Python9

  • OUC-HW-Survial-Guidance

    OUC&HW计科中外“宝宝”👶生存指南

    Language:Verilog8

  • SciMuse

    Interesting Scientific Idea Generation Using Knowledge Graphs and LLMs: Evaluations with 100 Research Group Leaders

    Language:Python7

  • MolPuzzle

    [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation

    Language:Python7

  • eai2024

    Topic Modelling Research in the Digital Circular Electrochemical Economy Project (🔋 Energy and AI Journal 🤖)

    Language:Jupyter Notebook6

  • CLEAN-Contact

    PyTorch Implementation of CLEAN-Contact: Contrastive Learning-enabled Enzyme Functional Annotation Prediction with Structural Inference

    Language:Python6

  • Story-Teller

    This repo mainly encapsulates an LLM model + front-end + back-end for generating stories for children. It was a personal project in April last year and is now open source.

    Language:Python5

  • balsa

    Benchmark suite for active learning (with surrogate models) in scientific discovery, featuring standardised tasks in materials science and biology 🧪🤖

    Language:Python5

  • liveideabench

    🤖💡 LiveIdeaBench: Evaluating LLMs' Scientific Creativity and Idea Generation with Minimal Context

    Language:Python3

  • MolRetrieval

    This repo implements many methods to retrieve molecules that are similar to a target molecule from a large molecule corpus.

    Language:Python3

  • opi

    This repo is for the Open Protein Instructions (OPI) project, aiming to build and release a high-quality and comprehensive protein instruction dataset with which LLMs can be adapted to protein-related tasks via instruction tuning and evaluated on these tasks.

    Language:Python3

  • APAC-HPC-AI-2024-SUSTech-0x01

    APAC 2024 SUSTech 0x01 Team Repo

    Language:C++2

  • AI4S

    AI for Science

    Language:Jupyter Notebook2

  • PINNacle

    Codebase for PINNacle: A Comprehensive Benchmark of Physics-Informed Neural Networks for Solving PDEs.

    Language:Python2

  • Hybrid-Quantum-Classical-Computing

    第十九届“挑战杯”全国大学生课外学术科技作品竞赛

    Language:Python1

  • classplanner

    Este proyecto es una aplicación web que utiliza la API de OpenAI para generar automáticamente presentaciones educativas. La aplicación permite a los usuarios ingresar información sobre el tema de la clase, la duración, el nivel educativo y las palabras clave relevantes.

    Language:Python1

  • MinerU

    A high-quality tool for convert PDF to Markdown and JSON.一站式开源高质量数据提取工具，将PDF转换成Markdown和JSON格式。

    Language:Python

  • Libra

    Libra: Leveraging Temporal Images for Biomedical Radiology Analysis

    Language:Python