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Ziyao Li's Projects

af2_kuixu icon af2_kuixu

Install alphafold on the local machine, get out of docker.

alphafold3 icon alphafold3

To become an implementation of AlphaFold3 based on Uni-Fold.

deepmd-kit icon deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

diffab icon diffab

✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)

esm icon esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

fast-kan icon fast-kan

FastKAN: Very Fast Implementation of Kolmogorov-Arnold Networks (KAN)

gcn-lase icon gcn-lase

GCN-LASE: Towards Adequately Incorporating Link Attributes in Graph Convolutional Networks

grade_if icon grade_if

Graph Denoising Diffusion for Inverse Protein Folding(NeurIPS 2023)

gvp-pytorch icon gvp-pytorch

Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure

kagglesberbank icon kagglesberbank

A regression task on Kaggle of Sberbank Russian Housing Market. Second place achieved with complicated preprocessing issues, XGBoost and stacking strategies. (Late Submission)

mile icon mile

PyTorch code for the paper "Model-Based Imitation Learning for Urban Driving".

mongeampereflow icon mongeampereflow

Continuous-time gradient flow for generative modeling and variational inference

numericalpossionequation icon numericalpossionequation

The main task of this project is to solve the Anisotropic Poisson equation by transforming the original problem into a linear equation using discrete differential approximations. Different methods have been attempted solving the linear equation with massive size, including direct Gauss elimination and Preconditioning Conjugate Gradient (PCG) with V-Cycle preconditioner using either Symmetric Line Gauss-Seidel Iterative Method or Symmetric Point Gauss-Seidel Iterative Method as smoother. Other methods, such as ordinary Conjugate Gradient Methods are also attempted.

pifold icon pifold

The official implementation of the ICLR'2023 paper PiFold: Toward effective and efficient protein inverse folding.

pkuthss icon pkuthss

LaTeX template for dissertations in Peking University

rosettafold icon rosettafold

This package contains deep learning models and related scripts for RoseTTAFold

russianraionsdataexploration icon russianraionsdataexploration

In this project, data of 125 Russian raions is explored in attempt to find some connections between the average house prices and some other basic features of the raions. Several methods of multivariate statistic analysis, including Principal Components Analysis, Factor Analysis and linear regression, are implemented. The results show that the predictors in the given data cannot adequately explain the variance of the house price, but important predictors, such as industrial area proportions, can be somehow instructive.

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