This repository gathers the NNAIMGUI code along with some instructions and readme files.
☆11Mar 22, 2024Updated last year
Alternatives and similar repositories for NNAIMGUI
Users that are interested in NNAIMGUI are comparing it to the libraries listed below
Sorting:
- Public version for DistPepFold☆10Jul 17, 2025Updated 7 months ago
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- Bokeh extensions to plot molecules easily☆10Jul 14, 2025Updated 7 months ago
- Models trained on the SPICE dataset☆10Sep 23, 2022Updated 3 years ago
- Data and code required to reach the main conclusions of the fastsmcg paper☆10Sep 19, 2023Updated 2 years ago
- ☆13Oct 9, 2024Updated last year
- ☆13Dec 5, 2024Updated last year
- ☆28Jul 2, 2025Updated 8 months ago
- ☆13Jul 7, 2024Updated last year
- Benchmarking active learning protocols for ligand binding affinity prediction☆13Feb 4, 2024Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Feb 24, 2026Updated last week
- Constrained Optimization to Train Neural Networks on Critical and Under-Represented Classes [NeurIPS2021]☆13Feb 3, 2026Updated last month
- ☆14Jul 5, 2022Updated 3 years ago
- xyz2mol for transition metal complexes.☆19Feb 6, 2026Updated 3 weeks ago
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆14Sep 15, 2023Updated 2 years ago
- Python rich client for visual protein Sequence to Structure Analysis☆18Feb 25, 2026Updated last week
- ☆18Nov 10, 2021Updated 4 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Nov 14, 2023Updated 2 years ago
- ☆22Mar 28, 2024Updated last year
- MEGADOCK on Google Colaboratory☆20Oct 2, 2023Updated 2 years ago
- Dock organometallic compounds to proteins/DNA/biomolecules☆19May 26, 2025Updated 9 months ago
- Multiscale Simulation Tool for Backmapping☆22Feb 7, 2026Updated 3 weeks ago
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 2 weeks ago
- ☆20Apr 12, 2024Updated last year
- ASGARD is a tool that allows via an automated MD workflow to perform MD protein or protein-ligand complex analysis and to generate the co…☆18Jul 11, 2024Updated last year
- PandaDock: Physics based Molecular Docking with GNN Scoring☆95Feb 25, 2026Updated last week
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- ☆28Feb 22, 2026Updated last week
- ☆23Jul 27, 2021Updated 4 years ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆25Feb 4, 2026Updated last month
- AI4Green is an Electronic Laboratory Notebook which combines data storage and sharing while promoting green and sustainable chemistry.☆27Feb 12, 2026Updated 2 weeks ago
- Computational Chemistry Workflows☆56Jul 19, 2022Updated 3 years ago
- ☆55Nov 25, 2025Updated 3 months ago
- ☆26May 14, 2025Updated 9 months ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆27Jul 7, 2023Updated 2 years ago
- ☆27Updated this week
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆57Jun 24, 2025Updated 8 months ago
- ☆31Aug 16, 2025Updated 6 months ago
- ☆35Jul 10, 2025Updated 7 months ago