Learning Universal Representations of Intermolecular Interactions with ATOMICA
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Updated
Sep 14, 2025 - Python
Learning Universal Representations of Intermolecular Interactions with ATOMICA
Nucleic and amino acid primitive types
Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.
An analysis of a new experimentally-derived nucleic acid binding chemical library
使用 OCR + 正则表达式实现核酸检测截图的自动校验,复现复旦大学博士生的代码
A Python application to find and classify tetrads and quadruplexes in DNA/RNA 3D structures
🧬🦠🧪 [research][wip] Library for working with DNA, RNA, and etc acids
Using data from PDBePISA with the convenience of Python and Jupyter.
Analysis workflow for smallRNA sequenced data
Similarity Score Matrix and HeatMap for Nucleic and Amino acid K-mers
A high-performance, pure Rust toolkit for standardizing and preparing biomolecular systems (proteins & nucleic acids). It heals missing atoms, resolves protonation states, adds solvation, and unifies topologies to forge simulation-ready structures.
Geometry faithful 2D RNA visualization
A Generalized Algorithm for Coarse-Graining Molecular Dynamics Simulations with Boltzmann parametrization
Python application to compare ssNa secondary structures
Construct atomistic (AA) model from Three-Interaction-Site (TIS) coarse-grained model of RNA/DNA
A high-performance, pure Rust library for automated DREIDING force field parameterization. It orchestrates structure repair, topology perception, and partial atomic charge calculation to produce simulation-ready inputs for both biological macromolecules and arbitrary chemical systems.
AnnotationDb for post-transcriptional modifications (Mmusculus.mm10)
Remove duplicated protein/nucleic acid sequences, keeping the first occurrence.
Origin of LIFE Research Project.
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