☆33Aug 26, 2026Updated 3 weeks ago
Alternatives and similar repositories for BioChemInsight
Users that are interested in BioChemInsight are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆96May 9, 2026Updated 4 months ago
- [CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures☆16Mar 22, 2026Updated 5 months ago
- [CVPR 26] MarkushGrapher-2: End-to-end Multimodal Recognition of Chemical Structures☆81May 29, 2026Updated 3 months ago
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- ☆12Oct 9, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆19Jan 18, 2026Updated 8 months ago
- ☆18Aug 5, 2023Updated 3 years ago
- ☆17Jun 12, 2026Updated 3 months ago
- ☆10Jun 28, 2025Updated last year
- HyperPCM: Robust task-conditioned modeling of drug-target interactions☆37Oct 1, 2024Updated last year
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆20Aug 8, 2023Updated 3 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years ago
- Code for the combinatorial synthesis library variational auto-encoder (CSLVAE) as described in the paper, "An efficient graph generative …☆14Nov 17, 2023Updated 2 years ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆25Aug 18, 2025Updated last year
- [Nat. Commun.] PatCID: an open-access dataset of chemical structures in patent documents☆74Oct 27, 2025Updated 10 months ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆71Sep 11, 2026Updated last week
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆41Jul 16, 2024Updated 2 years ago
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated 2 years ago
- A pipeline to do virtual screening☆10Oct 4, 2023Updated 2 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- ☆13Apr 15, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆12Oct 14, 2023Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆71Nov 20, 2023Updated 2 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- App for serotonergic targets☆12Jan 8, 2026Updated 8 months ago
- MULAN: Multimodal Protein Language Model for Sequence and Structure Encoding☆25May 22, 2025Updated last year
- ☆55Nov 29, 2025Updated 9 months ago
- PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the l…☆16Jan 21, 2026Updated 8 months ago
- ☆15Dec 4, 2023Updated 2 years ago
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 3 years ago
- ☆68Mar 11, 2023Updated 3 years ago
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- Structure-based drug design based on Retrieval Augmented Generation☆29Nov 7, 2025Updated 10 months ago
- ☆14May 15, 2024Updated 2 years ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Aug 17, 2023Updated 3 years ago
- cime public repository☆32Jan 12, 2023Updated 3 years ago