☆33Aug 26, 2026Updated 2 months 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☆99May 9, 2026Updated 5 months ago
- [CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures☆16Mar 22, 2026Updated 7 months ago
- [CVPR 26] MarkushGrapher-2: End-to-end Multimodal Recognition of Chemical Structures☆84May 29, 2026Updated 5 months ago
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- ☆12Oct 9, 2024Updated 2 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.
- ☆19Jan 18, 2026Updated 9 months ago
- ☆10Jun 28, 2025Updated last year
- HyperPCM: Robust task-conditioned modeling of drug-target interactions☆38Oct 1, 2024Updated 2 years ago
- ☆17Jun 12, 2026Updated 4 months ago
- ARCHIVED legacy compatibility bridge. Active development continues at SergeiNikolenko/Burette.☆21Sep 11, 2026Updated last month
- ☆18Aug 5, 2023Updated 3 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years ago
- [Nat. Commun.] PatCID: an open-access dataset of chemical structures in patent documents☆75Oct 27, 2025Updated last year
- 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
- 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.
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆17Sep 28, 2026Updated last month
- A comprehensive benchmark for evaluating AI models on language-guided molecular structure recognition and manipulation.☆15Apr 27, 2026Updated 6 months ago
- A pipeline to do virtual screening☆10Oct 4, 2023Updated 3 years ago
- BEER - Biophysical Evaluation Engine for Residues☆13Jun 16, 2026Updated 4 months 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
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆20Aug 8, 2023Updated 3 years ago
- ☆15Jul 5, 2022Updated 4 years ago
- ☆26Oct 24, 2026Updated last week
- ☆10Oct 24, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆21Oct 8, 2026Updated 3 weeks ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 9 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆71Oct 23, 2026Updated last week
- This repository contains all the course materials that are used in the "Chemo-informatics and computational drug design" course teaches a…☆11Updated this week
- ☆12Jul 2, 2024Updated 2 years ago
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆25Apr 20, 2020Updated 6 years ago
- Evaluation of Reinforcement Learning in Transformer-based Molecular Design☆11Mar 11, 2024Updated 2 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- Structure-based drug design based on Retrieval Augmented Generation☆29Nov 7, 2025Updated 11 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.
- ☆61Nov 29, 2025Updated 11 months ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆44Oct 2, 2026Updated 3 weeks ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- MULAN: Multimodal Protein Language Model for Sequence and Structure Encoding☆25May 22, 2025Updated last year
- ☆12Oct 14, 2023Updated 3 years ago
- App for serotonergic targets☆12Jan 8, 2026Updated 9 months ago
- Paper for release☆11Sep 24, 2021Updated 5 years ago