AI4Chem is a code to test the ability of large language models (ChatGPT) to comprehend Chemistry.
☆23Aug 5, 2025Updated 9 months ago
Alternatives and similar repositories for AI4Chem
Users that are interested in AI4Chem are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆27Aug 4, 2024Updated last year
- ☆14Apr 16, 2024Updated 2 years ago
- Predictive Chemistry Augmented with Text Retrieval☆25Feb 20, 2024Updated 2 years ago
- Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"☆39Jul 14, 2023Updated 2 years ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Free Parametrization for Small Molecules☆53Feb 18, 2026Updated 2 months ago
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆14Jul 8, 2025Updated 10 months ago
- GitHub for AI4PD 2023 Workshop in Chile☆12Oct 12, 2023Updated 2 years ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆45Aug 2, 2023Updated 2 years ago
- A series of scripts that facilitate the prediction of user-defined protein structural properties using AlphaFold2☆12Aug 28, 2023Updated 2 years ago
- MESS: Modern Electronic Structure Simulations☆20Sep 24, 2024Updated last year
- MOOSE Application for simulation of electrodeposition in Li-ion batteries☆21Mar 30, 2022Updated 4 years ago
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated last year
- Img2SMILES generator☆26Aug 29, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ChatGPT Chemistry Assistant☆88Aug 7, 2023Updated 2 years ago
- Codebase to accompany the paper A Look Inside the Black Box: Using Graph-Theoretical Descriptors to Interpret a Continuous-Filter Convolu…☆12May 26, 2021Updated 4 years ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Jul 26, 2023Updated 2 years ago
- A GGNN-GWM based step-wise framework for Chemical Synthesis Prediction☆20Oct 1, 2019Updated 6 years ago
- The latest documentation for the Materials Project.☆13Updated this week
- ☆21Sep 19, 2025Updated 7 months ago
- ☆20Jan 31, 2021Updated 5 years ago
- Interactive plots with chemical structures☆15Nov 14, 2019Updated 6 years ago
- Subset selection / data pruning for weak supervision☆16Jun 21, 2023Updated 2 years 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.
- Code pipeline for the PaccMann^RL in iScience: https://www.cell.com/iscience/fulltext/S2589-0042(21)00237-6☆33Feb 10, 2022Updated 4 years ago
- Large language models as universal biomedical simulators☆20Jul 17, 2024Updated last year
- A distributed framework based on Monte Carlo tree search for accelerating molecular discovery.☆14Mar 20, 2018Updated 8 years ago
- A Django + PyPDF2 application extracting PDF pages, merging and replacing PDF files online.☆18Nov 13, 2018Updated 7 years ago
- ☆17Apr 4, 2020Updated 6 years ago
- [ACL 2024] Masked Thought: Simply Masking Partial Reasoning Steps Can Improve Mathematical Reasoning Learning of Language Models☆27Jul 9, 2024Updated last year
- Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on☆25Jun 17, 2024Updated last year
- Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus ide…☆25Jul 28, 2024Updated last year
- ☆27May 22, 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. Zero configuration with optimized deployments.
- G-SchNet - a generative model for 3d molecular structures☆146Mar 24, 2023Updated 3 years ago
- ☆21Feb 16, 2024Updated 2 years ago
- ☆38Aug 11, 2023Updated 2 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆71Dec 8, 2023Updated 2 years ago
- DefectSegNet for semantic segmentation of defects in Steels☆11Feb 17, 2020Updated 6 years ago
- ☆15Jun 21, 2022Updated 3 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆35May 23, 2024Updated last year