[NeurIPS2025 Spotlight π₯ ] Official implementation of "UniSite: The First Cross-Structure Dataset and Learning Framework for End-to-End Ligand Binding Site Detection"
β39Nov 26, 2025Updated 5 months ago
Alternatives and similar repositories for unisite
Users that are interested in unisite are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction toolsβ18Nov 19, 2024Updated last year
- Deep learning based imputation of RNA secondary structure profile.β15May 1, 2022Updated 4 years ago
- TAGMol: Target-Aware Gradient-guided Molecule Generation (ICML'24 ML4LMS Workshop)β14Aug 29, 2024Updated last year
- Program to plot a Ramachandran plot of all dihedral angles from a given PDB file. Background is empirically generated from the peptides β¦β13Feb 25, 2025Updated last year
- Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Modelsβ32May 12, 2026Updated last week
- End-to-end encrypted cloud storage - Proton Drive β’ AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- β29Oct 9, 2024Updated last year
- Implementation of NeurIPS24 paper "Generalized Protein Pocket Generation with Prior-Informed Flow Matching"β21May 15, 2025Updated last year
- β34Jul 9, 2025Updated 10 months ago
- β10Feb 6, 2021Updated 5 years ago
- π[ICLR 2025] TFG-Flow: Training-free Guidance in Multimodal Generative Flowβ20Mar 4, 2025Updated last year
- β19Jun 27, 2024Updated last year
- Biobb_amber is a BioBB category for AMBER MD package.β14May 12, 2026Updated last week
- Machine Learning and Neural Networksβ29May 22, 2023Updated 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 preβ¦β20Oct 21, 2025Updated 6 months ago
- GPUs on demand by Runpod - Special Offer Available β’ AdRun AI, ML, and HPC workloads on powerful cloud GPUsβwithout limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- β11May 4, 2021Updated 5 years ago
- a deep learning based drug target interaction prediction modelβ11Nov 5, 2022Updated 3 years ago
- Rapid structure-based virtual screening for RNA targets.β28Apr 22, 2026Updated 3 weeks ago
- β19Dec 16, 2024Updated last year
- Beyond Myopia: Learning from Positive and Unlabeled Data through Holistic Predictive Trends [NeurIPS 2023]β10Jan 28, 2024Updated 2 years ago
- Official PyTorch implementation of "ProteinMAE: Masked Autoencoder for Protein Surface Self-supervised Learning".β18May 7, 2024Updated 2 years ago
- ROSE: RANK ORDERING OF SUPER-ENHANCERSβ17Aug 12, 2022Updated 3 years ago
- β26Apr 24, 2026Updated 3 weeks ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)β74Jul 27, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer β’ AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- β12May 3, 2025Updated last year
- β16Feb 14, 2025Updated last year
- β26Apr 2, 2024Updated 2 years ago
- The R Bioconductor package for scMAGeCK.β13Apr 20, 2024Updated 2 years ago
- RNAdvisor is a docker-based wrapper that integrates other metrics and scoring functions for RNA 3D structure evaluation.β17May 6, 2025Updated last year
- β18Feb 2, 2026Updated 3 months ago
- β44Jan 4, 2026Updated 4 months ago
- Implementation of Differentiable Molecular Simulations with torchMD.β16Oct 9, 2023Updated 2 years ago
- Official implementation of ICML'24 paper "Offline Multi-Objective Optimization".β25Jun 11, 2025Updated 11 months ago
- Proton VPN Special Offer - Get 70% off β’ AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assemblyβ18Jun 3, 2020Updated 5 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.β29Nov 6, 2022Updated 3 years ago
- C2AE architecture for multi label classification in pytorch.β13Dec 7, 2022Updated 3 years ago
- A toolset and pipeline for running zero shot and supervised protein fitness prediction, drop in compatible with scikitlearnβ13Nov 28, 2025Updated 5 months ago
- Prediction of B-cell epitopes from amino acid sequences using deep neural networks.β18Sep 7, 2022Updated 3 years ago
- Transfer learning for Mutation Effect Predictionβ17Feb 13, 2024Updated 2 years ago
- Protein Residue-Residue Contacts from Correlated Mutations predicted quickly and accurately.β114Nov 8, 2023Updated 2 years ago