drmaruyama

drmaruyama's Stars

• navdeep-G/samplemod

  Language:Python4.8k10901.5k

• aqlaboratory/openfold

  Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

  Language:Python2.7k48339498

• RosettaCommons/RoseTTAFold

  This package contains deep learning models and related scripts for RoseTTAFold

  Language:Python2k59130433

• sokrypton/ColabFold

  Making Protein folding accessible to all!

  Language:Jupyter Notebook1.8k47540470

• lh3/minimap2

  A versatile pairwise aligner for genomic and spliced nucleotide sequences

  Language:C1.8k861.1k405

• openhackathons-org/gpubootcamp

  This repository consists for gpu bootcamp material for HPC and AI

  Language:Jupyter Notebook5032362253

• NVIDIA/cuQuantum

  Home for cuQuantum Python & NVIDIA cuQuantum SDK C++ samples

  Language:Jupyter Notebook334216065

• CQCL/tket

  Source code for the TKET quantum compiler, Python bindings and utilities

  Language:C++2451836248

• RosettaCommons/RFDesign

  Protein hallucination and inpainting with RoseTTAFold

  Language:Python234135367

• dptech-corp/Uni-Fold-jax

  Trainable AlphaFold implementation in JAX

  Language:Python15481846

• atomisticnet/aenet

  Atomic interaction potentials based on artificial neural networks

  Language:Fortran114151140

• jvalegre/aqme

  Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and command lines, including: 1) RDKit- and CREST-based conformer generation, 2) QM input file creation, 3) post-processing of QM output files, 4) generation of xTB, DFT and RDKit descriptors. https://aqme.readthedocs.io

  Language:Python9453323

• GATB/minia

  Minia is a short-read assembler based on a de Bruijn graph

  Language:C++7082613

• hkaneko1985/python_doe_kspub

  Pythonで学ぶ実験計画法入門　ベイズ最適化によるデータ解析

  Language:Python583436

• hkaneko1985/python_data_analysis_ohmsha

  「化学のためのPythonによるデータ解析・機械学習入門」サンプルプログラム

  Language:Python513130

• koji-inui/automatic-hamiltonian-design

  Language:Jupyter Notebook30103

• nakatsuma/python_for_bayes

  「Pythonによるベイズ統計学入門」の正誤表とPythonコード

  Language:Python283113

• wotto27oct/QTensorNet

  Language:Python17101

• 2AUK/pyRISM

  Implementation of the Reference Interaction-Site Model (RISM) equation

  Language:Rust15353

• pddg/uroboros

  Simple framework for building scalable CLI tool.

  Language:Python144251

• takeokato719/SolidStatePhysicsText

  Language:Python12140

• yoshida-lab/MTL_ChiParameter

  Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters

  Language:Jupyter Notebook12104

• bonohu/SAQE

  Systematic Analysis for Quantification of Expression

  Language:Python10306

• henniggroup/symbolic-regression-utilities

  Language:Python101006

• psipred/psicov

  PSICOV contact predictor

  Language:C7403

• hkaneko1985/python_chem_chem_eng

  Python で気軽に化学・化学工学

  Language:Jupyter Notebook5206

• quantinuum-jp/tket-workshop

  This is a repository for the meetup organized by Quantinuum K.K.

  Language:Jupyter Notebook4203

• AyakaSakata/LectureMaterials

  310

• j-iwata/RSDFT_DEVELOP

  Language:Fortran3201

• yagikiyoshi/MS_summer_school2021

  Materials for Molecular Science Summer School2021

  Language:Rich Text Format3101