☆53Aug 7, 2023Updated 3 years ago
Alternatives and similar repositories for GIGN
Users that are interested in GIGN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆23May 24, 2024Updated 2 years ago
- PocketDTA☆41Nov 21, 2025Updated 9 months ago
- ☆86Jan 8, 2024Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆56Dec 27, 2023Updated 2 years ago
- ☆81Apr 7, 2026Updated 4 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆12Jun 19, 2021Updated 5 years ago
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Apr 19, 2024Updated 2 years ago
- ☆60Aug 23, 2024Updated 2 years ago
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆11Aug 23, 2022Updated 4 years ago
- A deep learning framework for deubiquitnase-substrate interaction identification☆13Jul 31, 2025Updated last year
- Diffusion model based protein-ligand flexible docking method☆121Oct 30, 2024Updated last year
- This repository contains a reaction condition selector.☆17Mar 19, 2025Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆50Jun 21, 2023Updated 3 years ago
- Bib'23: Improved the Heterodimer Protein Complex Prediction with Protein Language Models☆15Dec 21, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆34Mar 19, 2023Updated 3 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆307Dec 23, 2025Updated 8 months ago
- ☆128Jul 18, 2025Updated last year
- Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.☆63Mar 30, 2026Updated 5 months ago
- Open source code for TankBind. Galixir Tenchnologies☆188Nov 1, 2023Updated 2 years ago
- PoseX: A Molecular Docking Benchmark☆84Mar 23, 2026Updated 5 months ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson.☆19Jun 26, 2026Updated 2 months ago
- ☆31Feb 22, 2022Updated 4 years ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆92Dec 4, 2023Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆23Oct 2, 2024Updated last year
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆145Jul 16, 2025Updated last year
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆31Mar 20, 2025Updated last year
- Official code for "Integration of pre-trained protein language models into geometric deep learning networks"☆23Jun 14, 2025Updated last year
- ☆27Aug 12, 2025Updated last year
- ☆146Aug 8, 2024Updated 2 years ago
- ☆17Nov 19, 2023Updated 2 years ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆119Aug 13, 2025Updated last year
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆50Jul 4, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- a deep learning architecture for protein-ligand binding affinity prediction☆77Jan 21, 2024Updated 2 years ago
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆32Feb 24, 2025Updated last year
- Plausibility checks for generated molecule poses.☆401Mar 7, 2026Updated 5 months ago
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆25May 22, 2025Updated last year
- Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling☆32Jun 3, 2026Updated 2 months ago
- Using a joint AE and property prediction model to estimate OOD molecules and quantify uncertainty☆28Apr 25, 2026Updated 4 months ago