guaguabujianle

guaguabujianle's Stars

• WanyuGroup/AI-for-Crystal-Materials

  AI for crystal materials

  322

• Shen-Group/DeepRelax

  Language:Python234

• guaguabujianle/EHIGN_SBVS

  Language:Python41

• guaguabujianle/MGraphDTA

  Language:Python488

• guaguabujianle/EHIGN_PLA

  Language:Python153

• ml4bio/RiboDiffusion

  ISMB-24/Bioinformatics: Tertiary Structure-based RNA Inverse Folding with Generative Diffusion Models

  Language:Python396

• HSE-LAMBDA/ai4material_design

  Code for Kazeev, N., Al-Maeeni, A.R., Romanov, I. et al. Sparse representation for machine learning the properties of defects in 2D materials. npj Comput Mater 9, 113 (2023).

  Language:Jupyter Notebook73

• yingyingeryu/Interpretable_AI_for_battery

  Interpretable learning for electrode-voltage prediction and design of multivalent metal-ion batteries

  3

• yingyingeryu/voltages-of-battery-electrodes

  Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes

  Language:Jupyter Notebook93

• guaguabujianle/E2GNN

  Language:Python9

• tiejundong/FlexPose

  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.

  Language:Python514

• AI-Citizen/SolidGPT

  Developer AI Persona Search Agent

  Language:Python1.8k130

• CederGroupHub/chgnet

  Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

  Language:Python28472

• luwei0917/TankBind

  Open source code for TankBind. Galixir Tenchnologies

  Language:Python15351

• txie-93/cdvae

  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]

  Language:Python275103

• kaist-amsg/Cryslator

  Language:Python128

• xiaohu2015/nngen

  Language:Jupyter Notebook47777

• xianyuco/SS-GNN

  Language:Python246

• Jamson-Zhong/Graph2Edits

  Language:Python306

• gregory-kyro/HAC-Net

  HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction

  Language:Jupyter Notebook558

• NUS-Tim/MedAugment

  Language:Python766

• MathFoundationRL/Book-Mathematical-Foundation-of-Reinforcement-Learning

  This is the homepage of a new book entitled "Mathematical Foundations of Reinforcement Learning."

  Language:MATLAB6.5k699

• rlabbe/Kalman-and-Bayesian-Filters-in-Python

  Kalman Filter book using Jupyter Notebook. Focuses on building intuition and experience, not formal proofs. Includes Kalman filters,extended Kalman filters, unscented Kalman filters, particle filters, and more. All exercises include solutions.

  Language:Jupyter Notebook17.4k4.3k

• kyonofx/MDsim

  [TMLR 2023] Training and simulating MD with ML force fields

  Language:Python11112

• learningmatter-mit/NeuralForceField

  Neural Network Force Field based on PyTorch

  Language:Jupyter Notebook26555

• RobDHess/Steerable-E3-GNN

  E(3) Steerable Graph Neural Network

  Language:Python11419

• MatthewMasters/EDM-Dock

  Language:Python325

• ritvikmath/YouTubeVideoCode

  Code related to my YouTube vids!

  Language:Jupyter Notebook244222

• lmqfly/Geometry-Deep-Learning-for-Drug-Discovery

  Geometry Deep Learning for Drug Discovery and Life Science

  6626

• guaguabujianle/GIGN

  Language:Python394