THU-ATOM / Drug-The-Whole-GenomeView external linksLinks
☆70Jan 12, 2026Updated last month
Alternatives and similar repositories for Drug-The-Whole-Genome
Users that are interested in Drug-The-Whole-Genome are comparing it to the libraries listed below
Sorting:
- A hybrid pipeline to screen compounds with DrugCLIP and Schrodinger☆37Jul 4, 2024Updated last year
- ☆14Feb 5, 2025Updated last year
- Deep learning tools for peptide substrate prediction and generation☆36Nov 20, 2025Updated 2 months ago
- ☆31Aug 16, 2025Updated 6 months ago
- ☆11Feb 19, 2024Updated last year
- Antibody-Specific Epitope Mapping☆16Sep 10, 2025Updated 5 months ago
- [PNAS 2025] Code of "Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design".☆31Jan 18, 2026Updated last month
- ☆20Mar 20, 2025Updated 10 months ago
- Peptide Virtual Screening Pipeline☆12Jul 3, 2019Updated 6 years ago
- Computationally Restoring the Potency of a Clinical Antibody☆19Mar 1, 2024Updated last year
- Network-based module discovery algorithm with high rate of empirically-validated term calls☆14Oct 22, 2023Updated 2 years ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆40Jul 4, 2025Updated 7 months ago
- Design a local part of a protein☆20Jan 12, 2023Updated 3 years ago
- Uncertainty Representation and Quantification for Machine Learning 🤔☆33Updated this week
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆21Oct 26, 2025Updated 3 months ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆55Feb 10, 2026Updated last week
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆46Jan 19, 2026Updated 3 weeks ago
- Implementation of FoldMark: Safeguarding Protein Structure Generative Models with Distributional and Evolutionary Watermarking☆22Jul 3, 2025Updated 7 months ago
- Mutational Effect Transfer Learning (METL) framework for pretraining and finetuning biophysics-informed protein language models☆60Feb 3, 2026Updated 2 weeks ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆186Jan 26, 2026Updated 3 weeks ago
- design pipeline for protein, nucleic acid, and small molecule☆40Updated this week
- ☆23Updated this week
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆23Feb 2, 2024Updated 2 years ago
- ☆21Apr 10, 2025Updated 10 months ago
- Python Toolkit for Transcription Factor Activity Inference and Clustering of scRNA-seq Data☆32Dec 15, 2025Updated 2 months ago
- This is the GitHub repository accompanying Krishnan, Anahtar, Valeri, et al., 2025☆36Jun 8, 2025Updated 8 months ago
- [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen☆53Jun 20, 2024Updated last year
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆30Feb 24, 2025Updated 11 months ago
- Codebase for Germinal, a broadly enabling generative pipeline for efficient generation of epitope-targeted de novo antibodies.☆186Updated this week
- RiboNN: predicting translation efficiencies from mRNA sequences☆50Jan 12, 2026Updated last month
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆27Jul 7, 2023Updated 2 years ago
- Repository for the 2024 OpenFE industry benchmark efforts☆31Oct 3, 2025Updated 4 months ago
- DiffModeler: a diffusion model based protein complex structure modeling tool.☆59Jan 12, 2026Updated last month
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆30Apr 26, 2024Updated last year
- Automated Explainable AI for Omics☆31Nov 14, 2025Updated 3 months ago
- A deep-learning framework for multi-omics integration☆32Jul 6, 2023Updated 2 years ago
- ☆27Jun 5, 2025Updated 8 months ago
- The code for gene set analysis by accessing domain databases☆98Dec 25, 2025Updated last month
- ☆15Nov 11, 2025Updated 3 months ago