Codebase and CLI for PLAPT: A state-of-the-art protein-ligand binding affinity model for drug discovery
☆121Mar 27, 2025Updated last year
Alternatives and similar repositories for PLAPT
Users that are interested in PLAPT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Affinity Protein-Protein Transformers—State of the art protein-protein binding affinity in seconds!☆110Feb 18, 2025Updated last year
- WaterGate: An Accessible Computational Analysis of Flooding Patterns☆20Aug 23, 2024Updated 2 years ago
- Binding affinity prediction for drug discovery☆10Aug 28, 2025Updated last year
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆32Feb 24, 2025Updated last year
- ☆15Mar 6, 2024Updated 2 years ago
- 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.
- ☆14Mar 28, 2025Updated last year
- ☆40Feb 5, 2026Updated 8 months ago
- ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein- Specific Molecular Generation☆23Jul 23, 2024Updated 2 years ago
- DualBind is a 3D structure-based deep learning model with a dual-loss framework for accurate and fast protein-ligand binding affinity pre…☆26Oct 21, 2025Updated last year
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆90Jan 8, 2025Updated last year
- DrugDomain database☆11Sep 16, 2025Updated last year
- AdaptiveFlow for Ligand Preparation (AFLP)☆10May 27, 2026Updated 5 months ago
- ☆30May 24, 2024Updated 2 years ago
- A 3D-equivariant neural network for protein structure accuracy estimation☆22Feb 24, 2023Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Ready-To-Use Pymol Plugin for Docking and Minimization☆11Nov 15, 2025Updated 11 months ago
- Official implementation for our paper: Repurposing AlphaFold3-like Protein Folding Models for Antibody Sequence and Structure Co-design☆48Jan 8, 2026Updated 9 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆40Oct 22, 2026Updated last week
- Plugin for folding sequences directly in PyMOL☆119Aug 4, 2025Updated last year
- ☆10Aug 20, 2023Updated 3 years ago
- MacroGuide: topological guidance for macrocycle generation (ICML 2026)☆17Aug 5, 2026Updated 2 months ago
- Complete saturation mutagenesis of a protein using ESM☆19Feb 20, 2024Updated 2 years ago
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆86Jul 22, 2026Updated 3 months ago
- ☆14Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- MCP server for Rosetta/PyRosetta and Biotite: give your AI coding agent expert-level knowledge of protein modeling and design - ask naive…☆19Apr 5, 2026Updated 6 months ago
- Modelling protein conformations with Alphafold3☆17Updated this week
- ☆15Oct 3, 2026Updated 3 weeks ago
- The MULTICOM4 protein structure prediction system developed by the Bioinformatics and Machine Learning Lab at the University of Missouri …☆17Aug 12, 2026Updated 2 months ago
- a python package to analyze short molecular dynamics simulations for the effect of point mutations on stability☆14Aug 18, 2026Updated 2 months ago
- ExplainBind: Explainable Physicochemical Determinants of Protein–Ligand Binding via Non-Covalent Interactions☆14Mar 6, 2026Updated 7 months ago
- Official Code Repo for LinkLlama☆15Oct 12, 2026Updated 2 weeks ago
- a Python program for running QM/MM simulations using Q-Chem and OpenMM☆16Apr 24, 2022Updated 4 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆37Sep 1, 2026Updated last month
- 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.
- Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.☆157May 21, 2025Updated last year
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆27Mar 2, 2024Updated 2 years ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆31Mar 20, 2025Updated last year
- AlphaFast: ultra-high-throughput AlphaFold3 inference with MMSeqs2-GPU☆169Oct 19, 2026Updated last week
- Accelerating Open-Source Binding Affinity Predictions☆201Aug 22, 2026Updated 2 months ago
- ☆100Oct 15, 2024Updated 2 years ago