#

all-atoms

Here are 5 public repositories matching this topic...

lammps-input-files

simongravelle / lammps-input-files

LAMMPS inputs and data files

python polymer simulation atomic inputs scripts molecular-dynamics octave graphene ions lammps molecular water soft-matter all-atoms lammps-input

Updated Oct 9, 2024

bytedance / AnewOmni

Codes for our paper "Programming Biomolecular Interactions with All-Atom Generative Model"

all-atoms molecule-design latent-diffusion peptide-design antibody-design ai-drug-discovery

Updated May 15, 2026
Python

subhamoymahajan / NPanalysis

Analyze two-component nanoparticle properties for classical molecular dynamics simulations

molecular-dynamics gromacs coarse-grained nanoparticles all-atoms

Updated Oct 24, 2022
Python

zihao-jing / Cuttlefish

Offical repo for work "Scaling-Aware Adapter for Structure-Grounded LLM Reasoning", model Cuttlefish, accepted by ICML 2026.

deep-learning post-training multimodal all-atoms multimodal-alignment large-language-models multimodal-large-language-models finetuning-llms

Updated May 13, 2026
Python

samuelhoover / gromacs-tutorials

GROMACS tutorials and exercises.

molecular-dynamics gromacs all-atoms

Updated Mar 6, 2024
Python

Improve this page

Add a description, image, and links to the all-atoms topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the all-atoms topic, visit your repo's landing page and select "manage topics."