drmaruyama's Stars
navdeep-G/samplemod
aqlaboratory/openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
RosettaCommons/RoseTTAFold
This package contains deep learning models and related scripts for RoseTTAFold
sokrypton/ColabFold
Making Protein folding accessible to all!
lh3/minimap2
A versatile pairwise aligner for genomic and spliced nucleotide sequences
openhackathons-org/gpubootcamp
This repository consists for gpu bootcamp material for HPC and AI
NVIDIA/cuQuantum
Home for cuQuantum Python & NVIDIA cuQuantum SDK C++ samples
CQCL/tket
Source code for the TKET quantum compiler, Python bindings and utilities
RosettaCommons/RFDesign
Protein hallucination and inpainting with RoseTTAFold
dptech-corp/Uni-Fold-jax
Trainable AlphaFold implementation in JAX
atomisticnet/aenet
Atomic interaction potentials based on artificial neural networks
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
GATB/minia
Minia is a short-read assembler based on a de Bruijn graph
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
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
koji-inui/automatic-hamiltonian-design
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
wotto27oct/QTensorNet
2AUK/pyRISM
Implementation of the Reference Interaction-Site Model (RISM) equation
pddg/uroboros
Simple framework for building scalable CLI tool.
takeokato719/SolidStatePhysicsText
yoshida-lab/MTL_ChiParameter
Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters
bonohu/SAQE
Systematic Analysis for Quantification of Expression
henniggroup/symbolic-regression-utilities
psipred/psicov
PSICOV contact predictor
hkaneko1985/python_chem_chem_eng
Python で気軽に化学・化学工学
quantinuum-jp/tket-workshop
This is a repository for the meetup organized by Quantinuum K.K.
AyakaSakata/LectureMaterials
j-iwata/RSDFT_DEVELOP
yagikiyoshi/MS_summer_school2021
Materials for Molecular Science Summer School2021