Biobb_amber is a BioBB category for AMBER MD package.
☆14Mar 17, 2026Updated 3 weeks ago
Alternatives and similar repositories for biobb_amber
Users that are interested in biobb_amber are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Web application for protein-ligand binding sites analysis and visualization☆20Dec 27, 2025Updated 3 months ago
- ☆10Nov 23, 2018Updated 7 years ago
- Code for the combinatorial synthesis library variational auto-encoder (CSLVAE) as described in the paper, "An efficient graph generative …☆14Nov 17, 2023Updated 2 years ago
- Protein design and variant prediction using autoregressive generative models☆24Feb 27, 2023Updated 3 years ago
- Implementation of Evolutionary and Metropolis Hastings Monte Carlo for text based (e.g. nucleotide/peptide) sequences☆13Mar 7, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- The official pytorch implementation of "LightRoseTTA: High-efficient and Accurate Protein Structure Prediction Using an Ultra-Lightweight…☆16Apr 13, 2025Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆34Aug 9, 2021Updated 4 years ago
- SMSD — exact substructure & MCS search for chemical graphs.☆48Updated this week
- ☆17Apr 10, 2024Updated 2 years ago
- Example of using JupyterHub with JupyterLab RTC☆11Dec 17, 2021Updated 4 years ago
- Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and ba…☆11Nov 26, 2022Updated 3 years ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 2 years ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆36Nov 18, 2023Updated 2 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Nested Logit Model with TensorFlow☆12May 11, 2019Updated 6 years ago
- A Multi-Task Generative model for Structure-Based Drug Design☆61Apr 8, 2026Updated last week
- ☆11May 4, 2021Updated 4 years ago
- Brief tutorial for using Snakemake to create and submit jobs on a HPC cluster.☆15Mar 22, 2022Updated 4 years ago
- PyMOL-wasm port's binary and html/javascript code☆35Sep 15, 2025Updated 7 months ago
- Source code for "Nucleosome plasticity is a critical element of chromatin liquid–liquid phase separation and multivalent nucleosome inter…☆13Jun 17, 2022Updated 3 years ago
- Clustering tool for biomolecular structural ensembles and data in general.☆10Aug 24, 2020Updated 5 years ago
- ☆18Dec 23, 2024Updated last year
- Algorithm for identifying hydrogen bond networks in CG proteins to implement Go-like Martini 3 models☆16Oct 25, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆38Dec 6, 2012Updated 13 years ago
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 2025Updated last year
- Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)☆11Apr 11, 2024Updated 2 years ago
- ROSE: RANK ORDERING OF SUPER-ENHANCERS☆17Aug 12, 2022Updated 3 years ago
- Reproducibility for the "Harmonization and Annotation of Single-cell Transcriptomics data with Deep Generative Models" paper☆13Jul 15, 2022Updated 3 years ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆31Apr 4, 2026Updated last week
- ☆14Jul 17, 2023Updated 2 years ago
- Basis set optimization library for quantum chemistry☆36Jun 27, 2025Updated 9 months ago
- Python code to extract features from Protein sequences for Machine Learning/Deep Learning☆20Mar 26, 2022Updated 4 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- The R Bioconductor package for scMAGeCK.☆13Apr 20, 2024Updated last year
- 3D-CNN based water position prediction method☆11Nov 20, 2023Updated 2 years ago
- ☆11Mar 31, 2023Updated 3 years ago
- ☆70Feb 13, 2026Updated 2 months ago
- A Python script to map PDB ID + chain ID to UniProt ID.☆18Mar 7, 2024Updated 2 years ago
- LAMMPS configuration files☆13Jan 11, 2017Updated 9 years ago
- A deep learning approach for predicting high-confidence neoantigens by considering both the presentation possibilities of mutant peptides…☆44Mar 25, 2023Updated 3 years ago