Biomolecules · Quantitative Biology
PyMOLfold: Interactive Protein and Ligand Structure Prediction in PyMOL
Colby T. Ford, Samee Ullah, Dinler Amaral Antunes, Tarsis Gesteira Ferreira
2025-02-04
Chemical Physics · Physics
PACKMOL- GUI: An All-in-One VMD Interface for Efficient Molecular Packing
Jian Huang, Chenchen Wu, Xiner Yang, Zaixing Yang +2
2024-08-26
Computational Engineering, Finance, and Science · Computer Science
Performance Analysis on Molecular Dynamics Simulation of Protein Using GROMACS
A. D. Astuti, A. B. Mutiara
2009-12-07
Biomolecules · Quantitative Biology
PolyFold: an interactive visual simulator for distance-based protein folding
Andrew McGehee, Sutanu Bhattacharya, Rahmatullah Roche, Debswapna Bhattacharya
2021-01-27
Machine Learning · Computer Science
MolFusion: Multimodal Fusion Learning for Molecular Representations via Multi-granularity Views
Muzhen Cai, Sendong Zhao, Haochun Wang, Yanrui Du +3
2024-06-27
Software Engineering · Computer Science
Visualizing the Process of Process Modeling with PPMCharts
Jan Claes, Irene Vanderfeesten, Jakob Pinggera, Hajo A. Reijers +2
2015-11-13
Machine Learning · Computer Science
PyMilo: A Python Library for ML I/O
AmirHosein Rostami, Sepand Haghighi, Sadra Sabouri, Alireza Zolanvari
2025-01-03
High Energy Physics - Phenomenology · Physics
Recent Improvements for the Lepton Propagator PROPOSAL
Mario Dunsch, Jan Soedingrekso, Alexander Sandrock, Maximilian Meier +2
2019-09-12
Machine Learning · Computer Science
Mol-LLM: Multimodal Generalist Molecular LLM with Improved Graph Utilization
Chanhui Lee, Hanbum Ko, Yuheon Song, YongJun Jeong +5
2025-05-27
Biomolecules · Quantitative Biology
PlayMolecule Viewer: a toolkit for the visualization of molecules and other data
Mariona Torrens-Fontanals, Panagiotis Tourlas, Stefan Doerr, Gianni De Fabritiis
2024-01-31
Biomolecules · Quantitative Biology
Molcontroller: a VMD Graphical User Interface for Manipulating Molecules
ChenChen Wu, Shengtang Liu, Shitong Zhang, Zaixing Yang
2020-07-03
Cosmology and Nongalactic Astrophysics · Physics
Symbolic Implementation of Extensions of the $\texttt{PyCosmo}$ Boltzmann Solver
Beatrice Moser, Christiane S. Lorenz, Uwe Schmitt, Alexandre Refregier +4
2022-06-20
Soft Condensed Matter · Physics
ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation
Horacio V. Guzman, Nikita Tretyakov, Hideki Kobayashi, Aoife C. Fogarty +5
2019-03-27
Machine Learning · Computer Science
Kymatio: Scattering Transforms in Python
Mathieu Andreux, Tomás Angles, Georgios Exarchakis, Roberto Leonarduzzi +14
2022-06-01
Machine Learning · Computer Science
AdaptMol: Adaptive Fusion from Sequence String to Topological Structure for Few-shot Drug Discovery
Yifan Dai, Xuanbai Ren, Tengfei Ma, Qipeng Yan +3
2025-05-20
Medical Physics · Physics
PyTomography: A Python Library for Medical Image Reconstruction
Lucas A. Polson, Roberto Fedrigo, Chenguang Li, Maziar Sabouri +7
2025-01-03