Andy6M

Andy6M's Stars

• Developer-Y/cs-video-courses

  List of Computer Science courses with video lectures.

  67.4k1.9k1439.1k

• fengdu78/Coursera-ML-AndrewNg-Notes

  吴恩达老师的机器学习课程个人笔记

  Language:HTML32.2k1k6810.6k

• yunjey/pytorch-tutorial

  PyTorch Tutorial for Deep Learning Researchers

  Language:Python30.3k6261798.1k

• ZuodaoTech/everyone-can-use-english

  人人都能用英语

  Language:TypeScript25.3k2803743.8k

• datawhalechina/pumpkin-book

  《机器学习》（西瓜书）公式详解

  24.1k622774.8k

• TingsongYu/PyTorch_Tutorial

  《Pytorch模型训练实用教程》中配套代码

  Language:Python7.5k89281.7k

• atomistic-machine-learning/schnetpack

  SchNetPack - Deep Neural Networks for Atomistic Systems

  Language:Python79132251215

• jensengroup/xyz2mol

  Converts an xyz file to an RDKit mol object

  Language:Python250113370

• learningmatter-mit/NeuralForceField

  Neural Network Force Field based on PyTorch

  Language:Jupyter Notebook23972051

• atomistic-machine-learning/SchNet

  SchNet - a deep learning architecture for quantum chemistry

  Language:Python22816366

• tencent-alchemy/Alchemy

  Language:Python115111538

• hspark1212/MOFTransformer

  Universal Transfer Learning in Porous Materials, including MOFs.

  Language:Python8653713

• zotko/xyz2graph

  Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.

  Language:Python791222

• lucidrains/molecule-attention-transformer

  Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules

  Language:Python58407

• spenser-lu/RASPA_tools

  适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合，可用于并行计算等温线、高通量模拟，zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for parallel calculation of isotherms, high-throughput simulation, automatic calculation of structural parameters, batch result analysis, etc.

  Language:Python49226

• MolCrafts/molpy

  [WIP] A data structure used to describe molecules in computational chemistry, just like numpy in data science

  Language:Python34306

• zhenpengyao/Supramolecular_VAE

  Language:Jupyter Notebook314215

• Aropha/get-chemical-smiles-by-cas-or-name

  Get chemical SMILES strings (structures) based on the CAS numbers or the names of the chemicals.

  Language:Jupyter Notebook28016

• dptech-corp/Uni-MOF

  Language:Python22437

• kmu/cif2cell

  cif2cell compatible with Python 3+

  Language:Python11338

• gdev7/mBUD

  Language:Python41

• MusenZhou/inverse-design-MOF-membrane

  Inverse design MOF membrane via genetic algorithm

  Language:Cuda2100

• ton731/git-command

  2101