☆25Jan 6, 2026Updated 3 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:
- ☆19Jan 18, 2026Updated 2 months ago
- ☆12Oct 9, 2024Updated 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
- A pipeline to do virtual screening☆10Oct 4, 2023Updated 2 years ago
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆77Apr 3, 2026Updated last week
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- HyperPCM: Robust task-conditioned modeling of drug-target interactions☆38Oct 1, 2024Updated last year
- Medea: An omics AI agent for therapeutic discovery☆72Mar 26, 2026Updated 2 weeks ago
- AI for Chemical Spectra☆16Mar 19, 2026Updated 3 weeks ago
- ☆20Jul 3, 2024Updated last year
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆34Jul 16, 2024Updated last year
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆23Apr 20, 2020Updated 5 years ago
- Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desm…☆23Mar 3, 2026Updated last month
- Official implementation of Panacea: A foundation model for clinical trial design, recruitment, search, and summarization.☆18Dec 24, 2024Updated last year
- Computer graphics in Rust (Geometry, PBR, RT) and Taichi (Collision, Rigid Dynamics). 44100652/44100642 course assignments.☆25Oct 28, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- ☆10Jun 24, 2023Updated 2 years ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆76Mar 27, 2025Updated last year
- The Guest HOst Affinity Tool (GHOAT.py) is a fully automated tool for absolute binding free energy calculations on guest-host systems.☆22May 14, 2025Updated 10 months ago
- [COLM'24] We propose Protein Chain of Thought (ProCoT), which replicates the biological mechanism of signaling pathways as language promp…☆73Nov 23, 2025Updated 4 months ago
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Sep 13, 2023Updated 2 years ago
- The Best Open Source LLM Code Interpreter☆17Sep 2, 2023Updated 2 years ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆15Oct 31, 2014Updated 11 years ago
- Fully connected neural nets for supervised learning DQMC data☆12Jul 13, 2016Updated 9 years ago
- Fully automated high-throughput MD pipeline☆90Mar 11, 2026Updated last month
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Oct 28, 2023Updated 2 years ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 years ago
- This is the pipeline of our new article "Enzyme Co-Scientist: Harnessing Large Language Models for Enzyme Kinetic Data Extraction from Li…☆16May 23, 2025Updated 10 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆92Jul 15, 2025Updated 8 months ago
- Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, …☆52Nov 20, 2023Updated 2 years ago
- Protein-ligand structure prediction☆240Jul 31, 2025Updated 8 months ago
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated last year
- ☆15Dec 4, 2023Updated 2 years ago
- Docking Tool Benchmarking Workflow☆25Jul 17, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- ☆65Mar 11, 2023Updated 3 years ago
- Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…☆57Dec 27, 2022Updated 3 years ago
- Optimization of binding affinities in chemical space for drug discovery☆36Jan 31, 2023Updated 3 years ago
- ☆56Dec 15, 2025Updated 3 months ago
- ☆55Mar 12, 2026Updated 3 weeks ago
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated last year
- Code for implementing the quantum log-likelihood using PennyLane and TensorFlow.☆11Dec 10, 2019Updated 6 years ago