公众号推送备份
☆397Apr 6, 2026Updated last month
Alternatives and similar repositories for CS_CCME_Posts
Users that are interested in CS_CCME_Posts are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- M e s t R e N o v a 1 2 . 0 Patch for Win/Mac and A D F 2 0 1 2 Patch for Win/Linux☆16Apr 6, 2026Updated last month
- ☆10Jul 30, 2024Updated last year
- A tool to create pixel-accurate energy diagrams as ChemDraw object☆75Feb 2, 2025Updated last year
- ☆29Sep 13, 2024Updated last year
- Platforms to predict reactivity for substitution reactions.☆22May 8, 2021Updated 5 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A build recipe for Multiwfn on MacOS☆45Jan 13, 2026Updated 3 months ago
- efficient TDDFT-ris based on MOKIT and PySCF☆20Jan 18, 2026Updated 3 months ago
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆69Updated this week
- Get chemical SMILES strings (structures) based on the CAS numbers or the names of the chemicals.☆46Apr 14, 2022Updated 4 years ago
- ☆21Mar 31, 2026Updated last month
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆50Mar 11, 2024Updated 2 years ago
- A simple program to solve the Eyring Equation and first/second order kinetics.☆22Jun 23, 2025Updated 10 months ago
- Python workflow for DP5 and DP4 analysis of organic molecules☆202Dec 1, 2023Updated 2 years ago
- Gene family evolution analysis of OneKP capstone paper☆13May 10, 2021Updated 4 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆46May 3, 2021Updated 5 years ago
- AutoDock for GPUs and other accelerators☆579Mar 10, 2026Updated last month
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated last year
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics☆46Jun 24, 2025Updated 10 months ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆85Apr 11, 2025Updated last year
- ML Prediction for Rf values☆14Sep 8, 2022Updated 3 years ago
- ☆11Oct 18, 2019Updated 6 years ago
- my own studied materials and scripts☆64Jan 20, 2026Updated 3 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Use this python plugin to visualize moleculars in Cinema 4D, and creat interesting animation with MoGraph tools!☆18Dec 14, 2023Updated 2 years ago
- Optimized version of the Reaction Decoder Tool (RDTool)☆18Sep 17, 2020Updated 5 years ago
- 《现代量子化学》汉化版☆178Mar 29, 2026Updated last month
- ☆23Dec 4, 2024Updated last year
- For the purpose of post progressing of MD carried by gromacs☆23Jul 2, 2025Updated 10 months ago
- 北京大学物理化学实验报告写作的参考模板。☆10Jan 10, 2021Updated 5 years ago
- Universal framework for physically based computational protein design☆37Aug 19, 2023Updated 2 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆30Jun 30, 2025Updated 10 months ago
- Code for training machine learning model for reaction condition prediction☆47Apr 30, 2020Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Code used in the manuscript for De Novo Design of Bioactive Protein Switches☆16May 16, 2019Updated 6 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- binding free energy estimator 2☆140Updated this week
- Examples for pscf (polymer self-consistent field theory)☆10Nov 12, 2021Updated 4 years ago
- ☆15Apr 14, 2023Updated 3 years ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆122Jun 6, 2019Updated 6 years ago
- Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3☆20Sep 4, 2025Updated 8 months ago