ap-uchi

ap-uchi's Stars

• mlabonne/llm-course

  Course to get into Large Language Models (LLMs) with roadmaps and Colab notebooks.

  Language:Jupyter Notebook37.2k389673.9k

• deepmodeling/deepmd-kit

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

  Language:C++1.4k47769499

• posit-dev/py-shiny

  Shiny for Python

  Language:Python1.2k2783569

• ParmEd/ParmEd

  Parameter/topology editor and molecular simulator

  Language:Python38533663148

• MolecularAI/Reinvent

  Language:Python3372151108

• marrink-lab/polyply_1.0

  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates

  Language:Python122518321

• dynamicslab/pysensors

  PySensors is a Python package for sparse sensor placement

  Language:Python7610821

• parmoo/parmoo

  Python library for parallel multiobjective simulation optimization

  Language:Python7343012

• kassonlab/gmxapi

  (outdated) fork of https://gitlab.com/gromacs/gromacs

  Language:C++52716213

• Battery-Intelligence-Lab/galv

  An open-source platform for automated storage of battery data with advanced metadata support

  Language:Python323768

• olsenlabmit/BCDB

  The Block Copolymer Phase Behavior Database (BCDB)

  Language:Python14313

• InnocentBug/G-BigSMILES

  Generator of SMILES string from bigSMILES with extension

  Language:Jupyter Notebook13312

• CrossFacilityWorkflows/DOE-HPC-workflow-training

  Repo for a DOE HPC workflow training event

  Language:Jupyter Notebook12905

• globus-labs/solvation-energy-ml

  Predicting solvation energy using message-passing neural networks

  Language:Jupyter Notebook5343

• hmwainw/GP4AQ

  Language:Jupyter Notebook32

• mossblaser/yarp

  Yet Another Reactive(-ish) Programming library for Python

  Language:Python3201