property-prediction 开源项目推荐（31 个）

liugangcode /torch-molecule

torch-molecule 是一个用于分子发现的深度学习包，采用 sklearn 风格的接口，面向性质预测、逆向设计和表示学习。

PaddlePaddle /PaddleMaterials

An End-to-End Deep Learning Toolkit for Materials Science

PaccMann /chemical_representation_learning_for_toxicity_prediction

Chemical representation learning paper in Digital Discovery

kdmsit /crysxpp

CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)

nju-websoft /OKELE

Open Knowledge Enrichment for Long-tail Entities, WWW 2020

Shreyas-Bhat /MolPropPred

Predicting properties of small molecules using MPNN on QM9 dataset

WhitestoneYang /spoc

An integrated Python package for molecular descriptor generation, data processing, model training, and hyper-parameter optimization.

SaiMahitVaddadi /EGAT-Private

EGAT - Edge Featured Graph Attention Networks for Property Prediction

sandialabs /P2MAT

P2MAT - A python based user interface to predict melting point and boiling point of chemical compounds.

ruhil528 /Machine_learning_for_materials_science

Machine learning algorithm implementation in materials science

Shravan4598 /PropSight-360-A-Real-Estate-Analytics-Prediction-Engine

AI-powered real estate platform for property price prediction, recommendations, and market insights using Streamlit and Machine Learning.

amurlaniakea /qchem-leak-screen

CPU-only perimeter sanity filter for AI-predicted quantum-chemical properties (dipole, HOMO/LUMO, gap). Agnostic of the source model; flags violations of Koopmans theorem, molecular point-group symmetry, topology and physical ranges. Heuristic linter, not a DFT calculator.

sr9dc /Pittsburgh_Single_Family_Home_Price

Pittsburgh Single Family Home Prediction with Non-Conventional Data Streams

BhattAyush17 /Valora

Smart, user-friendly property valuation app leveraging bulk price prediction, market summaries, feature insights, and top picks ,powered by Streamlit and machine learning.

rozariwang /CLMs-for-NPs

NP-specific chemical language models (NPCLMs) for molecule generation and property prediction using state-space and transformer architectures.

qamarsobhy7-source /Smart-House-Price-Predictor

Property price estimation for Egypt. Trained on 119,916 listings with CatBoost. Streamlit + Python.

mfaria-p /ZeoPropNet

A TensorFlow-based machine learning framework for predicting zeolite properties, particularly framework density, using neural networks and composite building unit fingerprints

Deep7285 /Physics-Informed-Surrogate-Modelling-for-Dissimilar-FSW

Physics-Informed Surrogate Modelling for Dissimilar FSW using the bayesian uncertainity optimization, gaussian process regressor surrogate modelling and process-structure-property chain.

defnecirci /Machine-Learning-for-more-efficient-SCM-processing

ML for predicting the compressive strength of SCMs

odhithSen /property-orientation

🧭 Australian Property Orientation Finder