Chemist AI Agent for Rational Inverse Design of Materials
☆43May 13, 2026Updated 2 weeks ago
Alternatives and similar repositories for dZiner
Users that are interested in dZiner are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆12Jun 14, 2025Updated 11 months ago
- Foundation Model for Materials - FM4M☆302May 13, 2026Updated 2 weeks ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- ☆16Oct 8, 2023Updated 2 years ago
- PoseX: A Molecular Docking Benchmark☆79Mar 23, 2026Updated 2 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- ☆19Jun 14, 2025Updated 11 months ago
- ☆12Jun 14, 2022Updated 3 years ago
- Computer-aided synthesis planning☆52May 22, 2026Updated last week
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- ☆10Jul 30, 2024Updated last year
- ☆15Sep 14, 2023Updated 2 years ago
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 3 months ago
- Synthetic Accessibility via Fragment Assembly Generation☆23Apr 18, 2026Updated last month
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A knowledge graph unifying computational and experimental data for MOFs☆47Nov 14, 2025Updated 6 months ago
- Structure-based drug design based on Retrieval Augmented Generation☆27Nov 7, 2025Updated 6 months ago
- ☆24May 18, 2026Updated last week
- ☆22Mar 25, 2025Updated last year
- Generator of polynomial machine learning potentials☆21May 19, 2026Updated last week
- ☆13Oct 9, 2024Updated last year
- Waters2mzML converts & subsequently annotates Waters .raw MSn data (both MSe & DDA) into functional .mzML files. Obtained .mzML files can…☆19Aug 17, 2023Updated 2 years ago
- Activity-Cliff Awareness Enables Robust Graph Learning for Molecular Property Prediction☆48Apr 20, 2026Updated last month
- PyChem-Pro: a molecular viewer, cheminformatics library, molecular descriptor calculator, molecular editor, chemical drawing editor, and …☆165Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Crsytal simulation tools☆10Updated this week
- High-throughput materials discovery.☆22Apr 27, 2026Updated last month
- [CVPR 26] MarkushGrapher-2: End-to-end Multimodal Recognition of Chemical Structures☆59Apr 24, 2026Updated last month
- Exploring QSAR Models for Activity-Cliff Prediction☆23May 17, 2024Updated 2 years ago
- ☆60Oct 9, 2025Updated 7 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆27Mar 24, 2025Updated last year
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆39Mar 9, 2026Updated 2 months ago
- ☆30Oct 29, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆29May 2, 2026Updated 3 weeks ago
- ☆14Apr 16, 2024Updated 2 years ago
- Bokeh extensions to plot molecules easily☆10Jul 14, 2025Updated 10 months ago
- ☆20Aug 5, 2025Updated 9 months ago
- ☆27Apr 15, 2025Updated last year
- Project layout for efficient AI for science☆13Sep 30, 2022Updated 3 years ago
- ☆15Apr 30, 2025Updated last year