☆18Sep 15, 2025Updated 7 months ago
Alternatives and similar repositories for AMDiff
Users that are interested in AMDiff are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆46Jul 13, 2025Updated 9 months ago
- Contrastive learning and pre-trained encoder (CLAPE) for protein-small molecules binding (SMB) sites prediction☆19Aug 22, 2024Updated last year
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆14Mar 14, 2024Updated 2 years ago
- Official implementation of SketchMol.☆33Feb 14, 2025Updated last year
- ☆42Mar 26, 2025Updated 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.
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆90Oct 6, 2025Updated 6 months ago
- Code fo ICLR2025 paper "A Simple yet Effective DDG Predictor is An Unsupervised Antibody Optimizer and Explainer"☆22Jul 18, 2025Updated 9 months ago
- Protein discovery tool for mining in the Alphafold database based on the position of few amino acids.☆32Apr 21, 2026Updated last week
- [ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension☆19May 5, 2025Updated 11 months ago
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆28Dec 2, 2025Updated 5 months ago
- ☆10Oct 31, 2025Updated 6 months ago
- ☆66Jun 27, 2025Updated 10 months ago
- ☆11Aug 5, 2020Updated 5 years ago
- ☆15Jun 25, 2025Updated 10 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding☆38Nov 25, 2025Updated 5 months ago
- De novo drug design with deep interactome learning☆20Mar 19, 2026Updated last month
- workflow used to prepare PPB-Affinity database☆28Aug 22, 2024Updated last year
- ☆23Mar 8, 2024Updated 2 years ago
- ☆71Nov 7, 2025Updated 5 months ago
- Code for the paper "OneProt: Towards Multi-Modal Protein Foundation Models"☆23Oct 31, 2025Updated 6 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- Serializing molecule 3D structures☆14Nov 27, 2024Updated last year
- Protein function prediction using protein structures and deep graph neural networks.☆21Jan 24, 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.
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆21Mar 26, 2024Updated 2 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆94Jul 23, 2024Updated last year
- Multi-domain Distribution Learning for De Novo Drug Design☆158Jan 26, 2026Updated 3 months ago
- Token-Mol 1.0：tokenized drug design with large language model☆62Dec 9, 2025Updated 4 months ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆37Sep 6, 2024Updated last year
- A universal structure-directed lead optimization☆74Jan 30, 2026Updated 3 months ago
- Mol-Opt: a toolbox for molecular design☆24Apr 15, 2024Updated 2 years ago
- Finding patch of conserved amino acid sites in 3D structure☆14Apr 13, 2025Updated last year
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆155Mar 31, 2026Updated last month
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- This is the official repository of Prot2Token paper.☆38Jun 6, 2025Updated 10 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆92Mar 31, 2026Updated last month
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆36Apr 14, 2026Updated 2 weeks ago
- Supporting code for doi 10.1021/acs.jcim.0c01344☆23Sep 10, 2022Updated 3 years ago
- Long disorder consensus predictor☆23Sep 2, 2025Updated 8 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆217Apr 15, 2025Updated last year
- ☆22Mar 30, 2024Updated 2 years ago