fromage
Molecular aggregate simulator
A Python framework for studying molecular aggregates in the excited state.
Framework for Molecular Aggregate Excitation
22 stars
5 watching
9 forks
Language: Python
last commit: 5 months ago
Linked from 1 awesome list
Related projects:
Repository | Description | Stars |
---|---|---|
| A numerical real-space code for molecular electronic structure calculations. | 30 |
| A toolkit providing tools and methods for simulating molecular systems using the OpenMM engine | 255 |
| An API for the Polarizable Continuum Model used to simulate molecular interactions in a polarized continuum environment. | 33 |
| A PyTorch-based framework for training and studying artificial species in bio-inspired environments | 72 |
| A package for creating and manipulating molecular systems using classical force fields. | 400 |
| A Python library that provides a robust representation of semantically constrained graphs, specifically for molecules in chemistry. | 696 |
| An implementation of a molecular representation learning method with substructure invariance for out-of-distribution generalization. | 61 |
| A Python library for advanced atomic simulations using Fortran-based numeric core and empirical pair potentials. | 23 |
| A Python-based simulation tool for multiphysics processes in fractured porous media | 255 |
| A molecular physics simulation script for Blender | 466 |
| Develops large multimodal models for high-resolution understanding and analysis of text, images, and other data types. | 143 |
| An open-source software project exploring chemical space through advanced simulation methods and ensemble techniques. | 183 |
| An open framework for simulating complex chemical reactions on high-performance computing hardware. | 181 |
| A platform providing tools and notebooks for protein structure prediction and analysis via Google Colab. | 2,031 |
| A Python module for simulating and characterizing optogenetics experiments | 34 |