littlepeachs

littlepeachs's Stars

• datawhalechina/self-llm

  《开源大模型食用指南》针对**宝宝量身打造的基于Linux环境快速微调（全参数/Lora）、部署国内外开源大模型（LLM）/多模态大模型（MLLM）教程

  Language:Jupyter Notebook13.9k912221.6k

• FoundationVision/VAR

  [NeurIPS 2024 Best Paper][GPT beats diffusion🔥] [scaling laws in visual generation📈] Official impl. of "Visual Autoregressive Modeling: Scalable Image Generation via Next-Scale Prediction". An *ultra-simple, user-friendly yet state-of-the-art* codebase for autoregressive image generation!

  Language:Jupyter Notebook7k103136449

• facebookresearch/flow_matching

  A PyTorch library for implementing flow matching algorithms, featuring continuous and discrete flow matching implementations. It includes practical examples for both text and image modalities.

  Language:Python2.2k2729110

• pyscf/pyscf

  Python module for quantum chemistry

  Language:Python1.3k771.6k610

• bjing2016/alphaflow

  AlphaFold Meets Flow Matching for Generating Protein Ensembles

  Language:Python42273757

• jannerm/ddpo

  Code for the paper "Training Diffusion Models with Reinforcement Learning"

  Language:Python41561128

• pgmpy/pgmpy_notebook

  Short Tutorial to Probabilistic Graphical Models(PGM) and pgmpy

  Language:Jupyter Notebook3792436214

• orbital-materials/orb-models

  ORB forcefield models from Orbital Materials

  Language:Python34071744

• rouyang2017/SISSO

  A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.

  Language:Fortran27377286

• janosh/pymatviz

  A toolkit for visualizations in materials informatics.

  Language:Python19565423

• jiaor17/DiffCSP

  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"

  Language:Python10942741

• ML-GSAI/DPT

  Official PyTorch implementation for "Diffusion Models and Semi-Supervised Learners Benefit Mutually with Few Labels"

  Language:Python89363

• Yeonghun1675/ChatMOF

  Predict and Inverse design for metal-organic framework with large-language models (llms)

  Language:Jupyter Notebook761615

• blondegeek/e3nn_tutorial

  repository and website for tutorials on 3d Euclidean equivariant neural networks

  Language:HTML716523

• aromanro/HartreeFock

  A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals

  Language:C++5762217

• cyye001/Con-CDVAE

  Language:Python26285

• zmyybc/AlphaNet

  A Local Frame-based Atomistic Potential

  Language:Python21103

• liugangcode/SGIR

  [KDD'23] Source codes of "Semi-Supervised Graph Imbalanced Regression"

  Language:Python20102

• HICAI-ZJU/InstructProtein

  Code and data for the ACL2024 paper "InstructProtein: Aligning Human and Protein Language via Knowledge Instruction".

  Language:Python17100

• MasterAI-EAM/Material-Knowledge-Graph

  The largest KG for material science

  Language:Jupyter Notebook13101

• NU-CUCIS/ALIGNNTL

  Language:Python10211

• SongtaoLiu0823/CREBM

  [ICML 2024] Preference Optimization for Molecule Synthesis with Conditional Residual Energy-based Models

  Language:Python9100

• ningliu-iga/TrinityLLM

  Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties

  Language:Jupyter Notebook7201

• cxysteven/ScalingProteinLM

  Language:Jupyter Notebook61

• learningmatter-mit/liflow

  Flow matching for accelerated simulation of atomic transport

  Language:Python60

• ASK-Berkeley/MLFF-distill

  [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy Hessians"

  Language:Jupyter Notebook5000

• AIRI-Institute/conditional-crystal-generation

  Language:Jupyter Notebook3300

• frcnt/om-diff

  OM-Diff: Inverse-design of organometallic catalysts with guided equivariant denoising diffusion

  Language:Python3200

• littlepeachs/SR4Aging

  Symbolic Regression in Advancing the Discovery of Aging Mechanisms of Polymer Materials

  Language:Jupyter Notebook20

• YongwonJo/SimRegMatch

  Deep Semi-Supervised Regression via Pseudo-Label Filtering and Calibration

  Language:Python21