15 skills found
pferretti / Polymer3 TypescriptBasic project structure for a Polymer 3 app written in Typescript
Ramprasad-Group / ML DFTPredict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
dssimmons-codes / AMDATC++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphous/glassy/polymer materials.
fgrunewald / Martini PolyPlyTool for generating MARTINI Polymer itps and structures
micheldumontier / AptamerbaseAptamers are single-stranded nucleic acid or amino acid polymers that recognize and bind to targets with high affinity and selectivity. The Aptamer Base is a database of detailed, structured information about the experimental conditions under which aptamers were selected and their binding affinity quantified.
anyuzx / HIPPS DIMES4D Genome Reconstruction and Dynamics Prediction: Maximum Entropy Based HI-C/Distance Map - Polymer Physics - Structures Method
nanogchen / PolyGraftA Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures
TEPPP-software / TEPPPTopological Entanglement in Proteins, Polymers and Periodic Structures
olajuwonOG / Structure And Dynamics PaperLammps and python script for structure and dynamics of dispersed polymer melts
anqiclaire / Deep Learning Based Nanocomposite Psp Relationship Studyrepository of the code and the data used in paper "Mining structure-property relationships in polymer nanocomposites using data driven finite element analysis and multi-task convolutional neural network"
lslumass / Structure Factorscalcualte structure factors (Sq) for polymer bulk system
milindmalshe / Graph Cconvolutional Neural Network Polymer Structure PredictionNo description available
AhmadPedroQMUL / Rare Events Sampling PythonExplores sampling techniques for Self-Avoiding Walks (SAWs), mathematical models used to study complex structures like polymer chains. We cover Uniformly Sampled, Pruned and Enriched Rosenbluth Method (FlatPERM) and variations of SAWs measuring different parameters.
Tristan-O / ArbitraryMoleculesForLAMMPSObject-Oriented Script to aid in creating LAMMPS data files.
engineerdevi / DNA CryptographyDNA Cryptography can be defined as a hiding data in terms of DNA Sequence. DNA cryptography is one of the rapid emerging technology which works on concepts of DNA computing. A new technique for securing data was introduced using the biological structure of DNA called DNA Computing (aka molecular computing or biological computing). DNA can be used to store and transmit data. The concept of using DNA computing in the fields of cryptography and steganography has been identified as a possible technology that may bring forward a new hope for unbreakable algorithms. Strands of DNA are long polymers of millions of linked nucleotides. These nucleotides consist of one of four nitrogen bases, a five carbon sugar and a phosphate group. The nucleotides that make up these polymers are named after the nitrogen base that it consists of; Adenine (A), Cytosine (C), Guanine (G) and Thymine (T).
